Fenbufen

CAS Number: 36330-85-5

Molecular Mass: 254.28 g/mol

Formula: C₁₆H₁₄O₃

Smiles: O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1

Synonymes:

Fenbufen, fenbufen, 36330-85-5, 4-(4-Biphenylyl)-4-oxobutyric acid, 3-(4-Biphenylylcarbonyl)propionic acid, 3-(4-Phenylbenzoyl)propionic acid, Fenbufene, 4-(biphenyl-4-yl)-4-oxobutanoic acid, CL-82204, Fenbufenum, gamma-Oxo(1,1'-biphenyl)-4-butanoic acid, 3-(4-Biphenylcarbonyl)propionic acid, DTXSID9023043, NSC-757812, CL 82,204, 9815R1WR9B, (1,1'-BIPHENYL)-4-BUTANOIC ACID, gamma-OXO-, DTXCID703043, CHEBI:31599, 4-[1,1'-biphenyl-4-yl]-4-oxobutanoic acid, 4-(1,1'-biphenyl-4-yl)-4-oxobutanoic acid, Lederfen cp, Lederfen f, Fenbuzip 300, Fenbuzip 450, Lederfen 450, RefChem:598857, M01AE05, 252-979-0, Lederfen, Cinopal, Bufemid, Napanol, 4-([1,1'-biphenyl]-4-yl)-4-oxobutanoic acid, 4-oxo-4-(4-phenylphenyl)butanoic acid, 4-(4-biphenyl)-4-oxobutyric acid, MFCD00056701, CL 82204, 4-biphenyl-4-yl-4-oxobutanoic acid, Butyric acid 4-(4-biphenyl)-4-oxo-, MLS000069810, Propionic acid, 3-(4-biphenylylcarbonyl)-, SMR000059150, CHEMBL277522, [1,1'-Biphenyl]-4-butanoic acid, .gamma.-oxo-, NCGC00016834-01, CAS-36330-85-5, Cinopol, Fenbufene [INN-French], Fenbufenum [INN-Latin], beta,p-Phenylbenzoylpropionic acid, SR-01000721906, EINECS 252-979-0, BRN 2378560, Diphenyl-4-gamma-oxo-gamma-butyric acid, (1,1'-BIPHENYL)-4-BUTANOIC ACID, .GAMMA.-OXO-, UNII-9815R1WR9B, Fenbufen CRS, Fenbufen [USAN:INN:BAN:JAN], Prestwick_567, 3-(4-Phenyl)benzoyl propionic acid, Fenbufen (Standard), Fenbufen, 96%, Spectrum_001248, FENBUFEN [USAN], Opera_ID_464, FENBUFEN [INN], FENBUFEN [JAN], FENBUFEN [MI], Prestwick0_000218, Prestwick1_000218, Prestwick2_000218, Prestwick3_000218, Spectrum2_001389, Spectrum3_001430, Spectrum4_000411, Spectrum5_001528, FENBUFEN [MART.], FENBUFEN [WHO-DD], SCHEMBL25117, BSPBio_000235, BSPBio_003140, Fenbufen, analytical standard, KBioGR_000702, KBioSS_001728, 3-10-00-03334 (Beilstein Handbook Reference), MLS001074090, DivK1c_000025, SPECTRUM1501008, SPBio_001378, SPBio_002156, BPBio1_000259, Fenbufen (JP17/USAN/INN), orb1310227, FENBUFEN [EP MONOGRAPH], HMS500B07, HY-B1138R, KBio1_000025, KBio2_001728, KBio2_004296, KBio2_006864, KBio3_002360, NINDS_000025, HMS1568L17, HMS1921B13, HMS2090G14, HMS2092B03, HMS2095L17, HMS2235I24, HMS3372M18, HMS3712L17, HMS3885N06, HMS5083B07, Pharmakon1600-01501008, 4-biphenyl-4-yl-4-oxobutyric acid, HY-B1138, MSK10338, PXB94096, .beta.,p-Phenylbenzoylpropionic acid, Tox21_110638, BDBM50240374, CCG-38988, EBC-02045, NSC757812, s4526, STK202178, 4-biphenyl-4-yl-4-oxo-butyric acid, AKOS000200430, Tox21_110638_1, CS-4743, DB08981, NSC 757812, SS-4225, 3-(4'-biphenylcarbonyl) propanoic acid, Fenbufen 100 microg/mL in Acetonitrile, IDI1_000025, 3-(4-biphenylylcarbonyl)-propionic acid, NCGC00016834-02, NCGC00016834-03, NCGC00016834-04, NCGC00016834-07, NCGC00094886-01, NCGC00094886-02, NCGC00094886-03, AC-14459, SBI-0051631.P002, AB00052195, gamma-oxo(1,1''-biphenyl)-4-butanoic acid, gamma-Oxo-(1,1'-biphenyl)-4-butanoic acid, NS00008115, .gamma.-Oxo(1,1'-biphenyl)-4-butanoic acid, Diphenyl-4-.gamma.-oxo-.gamma.-butyric acid, EN300-14196, 4-([1,1'-biphenyl]-4-yl)-4-oxobutanoicacid, 4-[1,1''-biphenyl-4-yl]-4-oxobutanoic acid, D01344, 4-[1,1'-Biphenyl]-4-yl-4-oxobutanoic acid #, AB00052195-13, AB00052195_14, F207216, Q2304195, SR-01000721906-2, SR-01000721906-4, SR-01000721906-5, BRD-K12513978-001-05-0, BRD-K12513978-001-16-7, BRD-K12513978-001-24-1, Z99599540, Fenbufen, European Pharmacopoeia (EP) Reference Standard

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	278.15	-	1.922	[294]
1-Butanol	283.15	-	2.475	[294]
1-Butanol	288.15	-	3.224	[294]
1-Butanol	293.15	-	4.231	[294]
1-Butanol	298.15	-	5.412	[294]
1-Butanol	303.15	-	6.937	[294]
1-Butanol	308.15	-	8.89	[294]
1-Butanol	313.15	-	11.15	[294]
1-Butanol	318.15	-	13.64	[294]
1-Propanol	278.15	-	2.118	[294]
1-Propanol	283.15	-	2.759	[294]
1-Propanol	288.15	-	3.65	[294]
1-Propanol	293.15	-	4.749	[294]
1-Propanol	298.15	-	6.06	[294]
1-Propanol	303.15	-	7.809	[294]
1-Propanol	308.15	-	9.781	[294]
1-Propanol	313.15	-	12.15	[294]
1-Propanol	318.15	-	15.23	[294]
Acetone	278.15	-	7.237	[294]
Acetone	283.15	-	8.684	[294]
Acetone	288.15	-	11.04	[294]
Acetone	293.15	-	13.99	[294]
Acetone	298.15	-	17.68	[294]
Acetone	303.15	-	22.57	[294]
Acetone	308.15	-	28.01	[294]
Acetone	313.15	-	34.83	[294]
Acetone	318.15	-	42.81	[294]
Acetonitrile	278.15	-	1.379	[294]
Acetonitrile	283.15	-	1.894	[294]
Acetonitrile	288.15	-	2.514	[294]
Acetonitrile	293.15	-	3.292	[294]
Acetonitrile	298.15	-	4.283	[294]
Acetonitrile	303.15	-	5.534	[294]
Acetonitrile	308.15	-	7.055	[294]
Acetonitrile	313.15	-	8.768	[294]
Acetonitrile	318.15	-	10.71	[294]
Cyclohexane	283.15	-	8.0 × 10⁻⁴	[294]
Cyclohexane	288.15	-	0.0011	[294]
Cyclohexane	293.15	-	0.0017	[294]
Cyclohexane	298.15	-	0.0024	[294]
Cyclohexane	303.15	-	0.0035	[294]
Cyclohexane	308.15	-	0.0051	[294]
Cyclohexane	313.15	-	0.0071	[294]
Cyclohexane	318.15	-	0.0096	[294]
Ethanol	278.15	-	2.397	[294]
Ethanol	283.15	-	2.979	[294]
Ethanol	288.15	-	3.941	[294]
Ethanol	293.15	-	5.153	[294]
Ethanol	298.15	-	6.591	[294]
Ethanol	303.15	-	8.413	[294]
Ethanol	308.15	-	10.67	[294]
Ethanol	313.15	-	13.36	[294]
Ethanol	318.15	-	16.36	[294]
Ethyl acetate	278.15	-	2.41	[294]
Ethyl acetate	283.15	-	3.128	[294]
Ethyl acetate	288.15	-	4.111	[294]
Ethyl acetate	293.15	-	5.362	[294]
Ethyl acetate	298.15	-	6.957	[294]
Ethyl acetate	303.15	-	8.716	[294]
Ethyl acetate	308.15	-	11.01	[294]
Ethyl acetate	313.15	-	13.68	[294]
Ethyl acetate	318.15	-	16.75	[294]
Isopropanol	278.15	-	1.216	[294]
Isopropanol	283.15	-	1.633	[294]
Isopropanol	288.15	-	2.207	[294]
Isopropanol	293.15	-	2.959	[294]
Isopropanol	298.15	-	3.848	[294]
Isopropanol	303.15	-	4.912	[294]
Isopropanol	308.15	-	6.241	[294]
Isopropanol	313.15	-	7.813	[294]
Isopropanol	318.15	-	9.672	[294]
Methanol	278.15	-	2.893	[294]
Methanol	283.15	-	3.813	[294]
Methanol	288.15	-	5.048	[294]
Methanol	293.15	-	6.573	[294]
Methanol	298.15	-	8.398	[294]
Methanol	303.15	-	10.68	[294]
Methanol	308.15	-	13.27	[294]
Methanol	313.15	-	16.33	[294]
Methanol	318.15	-	20.17	[294]
Methyl ethyl ketone	278.15	-	8.004	[294]
Methyl ethyl ketone	283.15	-	10.72	[294]
Methyl ethyl ketone	288.15	-	13.88	[294]
Methyl ethyl ketone	293.15	-	18.04	[294]
Methyl ethyl ketone	298.15	-	23.47	[294]
Methyl ethyl ketone	303.15	-	29.53	[294]
Methyl ethyl ketone	308.15	-	37.09	[294]
Methyl ethyl ketone	313.15	-	45.89	[294]
Methyl ethyl ketone	318.15	-	55.66	[294]
Toluene	278.15	-	0.0971	[294]
Toluene	283.15	-	0.1336	[294]
Toluene	288.15	-	0.1883	[294]
Toluene	293.15	-	0.2555	[294]
Toluene	298.15	-	0.3415	[294]
Toluene	303.15	-	0.4602	[294]
Toluene	308.15	-	0.6091	[294]
Toluene	313.15	-	0.787	[294]
Toluene	318.15	-	0.9925	[294]
Water	278.15	-	0.1557	[294]
Water	283.15	-	0.2149	[294]
Water	288.15	-	0.2898	[294]
Water	293.15	-	0.3982	[294]
Water	298.15	-	0.5354	[294]
Water	303.15	-	0.7193	[294]
Water	308.15	-	0.9518	[294]
Water	313.15	-	1.25	[294]
Water	318.15	-	1.629	[294]

Molecule 3D descriptors

Descriptor	Value
PMI1	344.5539
PMI2	4071.2209
PMI3	4145.6822
NPR1	0.0831
NPR2	0.9820
RadiusOfGyration	4.1030
InertialShapeFactor	0.0029
Eccentricity	0.9965
Asphericity	0.7733
SpherocityIndex	0.1157
PBF	0.6876