Estrone

CAS Number: 53-16-7

Molecular Mass: 270.4 g/mol

Formula: C₁₈H₂₂O₂

Smiles: C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O

Synonymes:

Estrone, estrone, 53-16-7, folliculin, Theelin, estrovarin, Thelykinin, Kestrone, Ketohydroxyestrin, Estrugenone, Tokokin, 1,3,5(10)-Estratrien-3-ol-17-one, Follicunodis, Disynformon, Glandubolin, Hiestrone, Oestroform, Oestroperos, Estron, Femidyn, Folipex, Folisan, Kolpon, Menagen, Oestrin, Endofolliculina, Aquacrine, Crinovaryl, Cristallovar, Crystogen, Hormofollin, Hormovarine, Ketodestrin, Menformon, Oestronum, Ovifollin, Thelestrin, Wynestron, Destrone, Estrusol, Perlatan, 3-Hydroxyestra-1,3,5(10)-trien-17-one, Folikrin, Follestrine, Solliculin, Thynestron, Femestrone injection, Estrona, Estrogenic Substance, Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, Folliculinum, Estronum, 3-Hydroxy-17-keto-estra-1,3,5-triene, 3-Hydroxy-oestra-1,3,5(10)-trien-17-one, 1,3,5(10)-Oestratrien-3-ol-17-one, 3-Hydroxy-17-keto-oestra-1,3,5-triene, delta-1,3,5-estratrien-3-beta-ol-17-one, delta-1,3,5-oestratrien-3-beta-ol-17-one, 3-Hydroxy-1,3,5(10)-estratrien-17-one, Estradiol metabolite e1, (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, DTXSID4022367, Unden (pharmaceutical), NATURAL ESTROGENIC SUBSTANCE-ESTRONE, 1,3,5-Estratrien-3-ol-17-one, NSC-9699, 3-hydroxy-estra-1,3,5(10)-trien-17-one, 2DI9HA706A, WAY 164397, DTXCID402367, CHEBI:17263, (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-17-one, Estrone 1516, RefChem:5805, G03CA07, G03CC04, (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo(8.7.0.02,7.011,15)heptadeca-2(7),3,5-trien-14-one, 200-164-5, OESTRONE, Folliculine, Hormestrin, Unden, Estrone-A, Ketohydroxyoestrin, estrol, Estrona [Spanish], Folliculine benzoate, Ovex (tablets), Estronum [INN-Latin], Estrona [INN-Spanish], Follestrol, Mestronaq, (+)-Estrone, Ketohydroxy-Estratriene, 3-Hydroxyestra-1,3,5(10)-triene-17-one, Estrone (E1), delta-1,3,5-Estratrien-3beta-ol-17-one, Fem-O-Gen, (+/-)-Oestrone, delta-1,3,5-Oestratrien-3beta-ol-17-one, (+/-)-Estrone, Estrone DL-form [MI], Estrone, (+/-)-, 19973-76-3, MFCD00003620, Estrone (Standard), E(sub 1), CHEMBL1405, MLS000028475, X9XKA379T9, Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, (+/-)-, SMR000058338, Unigen, [2,4,6,7-3H]-E1, hydroxyestrones, Unden (pharmaceutical) (VAN), (9beta,13alpha)-3-Hydroxyestra-1,3,5(10)-Trien-17-One, Oestrone [Steroidal oestrogens], (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one, (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one, CCRIS 285, HSDB 3324, (13S)-3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one, NSC 9699, EINECS 200-164-5, Estrone (JAN/USP/INN), Estrone [USP:INN:BAN], BRN 1915077, UNII-2DI9HA706A, UNII-X9XKA379T9, Aquest, Menformon, , Oestrone, , Oestrin, , Estrone RS, Estrone CRS, Oxohydroxyoestrin, , CAS-53-16-7, NCGC00015423-03, Follicular hormone, , J3Z, CMC_13458, Estrone, 15, ESTRONE [VANDF], Opera_ID_330, ESTRONE [HSDB], Estrone, >=99%, ESTRONE [INN], ESTRONE [JAN], ESTRONE [MI], ESTRONE [MART.], Prestwick0_000914, Prestwick1_000914, Prestwick2_000914, Prestwick3_000914, Spectrum5_002047, E0026, ESTRONE [USP-RS], ESTRONE [WHO-DD], 3-hydroxy-estra-1,3,5(10)-triene-17-one, bmse000549, E 9750, EC 200-164-5, FOLLICULINUM [HPUS], Lopac0_000513, SCHEMBL21702, BSPBio_000788, 3-08-00-01171 (Beilstein Handbook Reference), MLS001077340, MLS002695951, MLS006011890, BIDD:ER0145, ESTRONE [ORANGE BOOK], SPBio_002977, BPBio1_000868, GTPL2818, MEGxm0_000444, orb1310063, orb3025577, SGCUT00128, ESTRONE [USP MONOGRAPH], Estrone 1.0 mg/ml in Methanol, SCHEMBL29373834, ACon0_000083, ACon1_000122, BDBM17289, HY-B0234R, [2,4,6,7-3H]-Estrone, MSK2214, Estriol EP Impurity B (Estrone), HMS1570H10, HMS2090E22, HMS2097H10, HMS2232O15, HMS3261H07, HMS3714H10, HY-B0234, to_000049, Tox21_113567, Tox21_201375, Tox21_303651, Tox21_500513, BBL033470, BL-090, EBC-04419, LMST02010004, MSK2214-100A, s1665, STK801833, AKOS005622512, AKOS007930641, MSK2214-1000A, Tox21_113567_1, AC-1395, CCG-204604, DB00655, DS-6316, Estrone 100 microg/mL in Acetonitrile, FE22839, LP00513, SDCCGSBI-0050497.P002, SMP1_000123, NCGC00023643-03, NCGC00023643-04, NCGC00023643-05, NCGC00023643-06, NCGC00023643-07, NCGC00023643-08, NCGC00023643-09, NCGC00023643-10, NCGC00023643-11, NCGC00023643-12, NCGC00023643-13, NCGC00023643-15, NCGC00023643-16, NCGC00023643-22, NCGC00179433-01, NCGC00179433-02, NCGC00179433-03, NCGC00257402-01, NCGC00258926-01, NCGC00261198-01, Estrone, meets USP testing specifications, SY036249, D1,3,5(10)-Estratrien-3-ol-17-one, 3-hydroxyl-1,3,5(10)-estratien-17-one, 3-Hydroxyoestra-1,3,5(10)-trien-17-one, AB00382990, CS-0694877, Estrone Solution in Acetonitrile, 100ug/mL, Estrone, VETRANAL(TM), analytical standard, EU-0100513, NS00010299, T1009, Estrone Solution in Acetonitrile, 1000ug/mL, C00468, D00067, EN300-120636, AB00382990-16, AB00382990-17, AB00382990_18, estra-1(10),2,4-trien-17-one, 3-hydroxy-, ETHINYLESTRADIOL IMPURITY C [EP IMPURITY], F301492, Q414986, SR-01000000085, SR-01000075867, SR-01000000085-3, SR-01000075867-1, BRD-K81839095-001-04-6, BRD-K81839095-001-25-1, BRD-K81839095-001-30-1, ESTRADIOL HEMIHYDRATE IMPURITY A [EP IMPURITY], 86C77018-146D-4603-ACEA-CA0D8C4F1E2C, Estrone, European Pharmacopoeia (EP) Reference Standard, Z1530425070, Estrone, United States Pharmacopeia (USP) Reference Standard, Estrone, Pharmaceutical Secondary Standard, Certified Reference Material, (8R,13S)-3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one, (8R,9S,13S,14S)-3-HYDROXY-13-METHYL-6,7,8,9,11,12,13,14,15,16-DECAHYDRO-17H-CYCLOPENTA(A)PHENANTHREN-17-ONE, Estradiol Hemihydrate EP Impurity A, Estriol EP Impurity B, Ethinylestradiol EP Impurity C, Estrone

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Nonanol	293.2	-	3.313	[456]
1-Nonanol	298.2	-	3.765	[456]
1-Nonanol	303.2	-	4.723	[456]
1-Nonanol	308.2	-	5.335	[456]
1-Nonanol	313.2	-	6.065	[456]
1-Nonanol	318.2	-	6.789	[456]
1-Nonanol	323.2	-	7.721	[456]
1-Nonanol	328.2	-	9.347	[456]
1-Octanol	293.2	-	2.007	[456]
1-Octanol	298.2	-	2.546	[456]
1-Octanol	303.2	-	3.012	[456]
1-Octanol	308.2	-	3.711	[456]
1-Octanol	313.2	-	4.524	[456]
1-Octanol	318.2	-	5.229	[456]
1-Octanol	323.2	-	6.179	[456]
1-Octanol	328.2	-	8.162	[456]
1-Pentanol	293.2	-	2.058	[456]
1-Pentanol	298.2	-	2.59	[456]
1-Pentanol	303.2	-	3.124	[456]
1-Pentanol	308.2	-	3.95	[456]
1-Pentanol	313.2	-	4.42	[456]
1-Pentanol	318.2	-	4.993	[456]
1-Pentanol	323.2	-	5.898	[456]
1-Pentanol	328.2	-	7.817	[456]
2-Butanol	293.2	-	2.096	[456]
2-Butanol	298.2	-	2.615	[456]
2-Butanol	303.2	-	3.234	[456]
2-Butanol	308.2	-	3.884	[456]
2-Butanol	313.2	-	4.671	[456]
2-Butanol	318.2	-	5.392	[456]
2-Butanol	323.2	-	6.076	[456]
2-Butanol	328.2	-	7.294	[456]
Acetonitrile	293.2	-	2.181	[456]
Acetonitrile	298.2	-	3.866	[456]
Acetonitrile	303.2	-	6.1	[456]
Acetonitrile	308.2	-	10.97	[456]
Acetonitrile	313.2	-	17.34	[456]
Acetonitrile	318.2	-	34.0	[456]
Acetonitrile	323.2	-	49.75	[456]
Acetonitrile	328.2	-	92.34	[456]
Dimethylformamide	293.2	-	3.935	[456]
Dimethylformamide	298.2	-	6.437	[456]
Dimethylformamide	303.2	-	9.75	[456]
Dimethylformamide	308.2	-	14.9	[456]
Dimethylformamide	313.2	-	21.87	[456]
Dimethylformamide	318.2	-	34.9	[456]
Dimethylformamide	323.2	-	48.3	[456]
Dimethylformamide	328.2	-	67.31	[456]
Dodecane	293.2	-	0.2189	[456]
Dodecane	298.2	-	0.2794	[456]
Dodecane	303.2	-	0.324	[456]
Dodecane	308.2	-	0.4315	[456]
Dodecane	313.2	-	0.5355	[456]
Dodecane	318.2	-	0.7698	[456]
Dodecane	323.2	-	1.127	[456]
Dodecane	328.2	-	1.426	[456]
N-Methyl-2-pyrrolidone	293.2	-	6.099	[456]
N-Methyl-2-pyrrolidone	298.2	-	8.131	[456]
N-Methyl-2-pyrrolidone	303.2	-	9.838	[456]
N-Methyl-2-pyrrolidone	308.2	-	12.23	[456]
N-Methyl-2-pyrrolidone	313.2	-	15.0	[456]
N-Methyl-2-pyrrolidone	318.2	-	20.6	[456]
N-Methyl-2-pyrrolidone	323.2	-	27.66	[456]
N-Methyl-2-pyrrolidone	328.2	-	31.79	[456]
Octane	293.2	-	0.2279	[456]
Octane	298.2	-	0.265	[456]
Octane	303.2	-	0.3107	[456]
Octane	308.2	-	0.3841	[456]
Octane	313.2	-	0.4501	[456]
Octane	318.2	-	0.609	[456]
Octane	323.2	-	0.7757	[456]
Octane	328.2	-	0.9994	[456]
Water	293.2	-	0.18	[456]
Water	298.2	-	0.329	[456]
Water	303.2	-	0.82	[456]
Water	308.2	-	1.742	[456]
Water	313.2	-	3.669	[456]
Water	318.2	-	6.39	[456]
Water	323.2	-	11.79	[456]
Water	328.2	-	15.21	[456]

Molecule 3D descriptors

Descriptor	Value
PMI1	539.1950
PMI2	2820.7613
PMI3	3180.3215
NPR1	0.1695
NPR2	0.8869
RadiusOfGyration	3.4778
InertialShapeFactor	0.0016
Eccentricity	0.9855
Asphericity	0.5756
SpherocityIndex	0.2069
PBF	0.6968