Menadiol diacetate
CAS Number: 573-20-6
Molecular Mass: 258.27 g/mol
Formula: C15H14O4
Smiles: CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12
Synonymes:
Menadiol diacetate, Acetomenaphthone, Kapilin, Kapilon, Kayvite, Prokayvit oral, Kativ powder, Davitamon-K, Vitamin K diacetate, Vitavel K, 1,4-Diacetoxy-2-methylnaphthalene, Adaprin, Pafavit, Davitamon-K-oral, Kapathrom, 1,4-NAPHTHALENEDIOL, 2-METHYL-, DIACETATE, Menadiol di(acetate), 2-Methyl-1,4-naphthohydroquinone diacetate, 2-Methyl-1,4-naphthylene diacetate, NSC 403062, DWG8UZD9HT, UNII-DWG8UZD9HT, EINECS 209-352-1, NSC-403062, BRN 1991457, DTXSID4046236, DTXCID2026236, ACETOMENAPHTHONE (MART.), ACETOMENAPHTHONE [MART.], RefChem:5509, 209-352-1, Vitamin K4, 573-20-6, 2-Methylnaphthalene-1,4-diyl diacetate, Acetomenaphtone, MFCD00021469, Acetomenaphtone (JAN), 2-Methyl-1,4-naphthalenediol diacetate, NCGC00160567-01, ACETOMENAPHTONE [JAN], Acetomenaphthone [BAN], Acetomenaphthone (Menadiol Diacetate), SMR001550632, Acetomenaphthone [INN:BAN], 4-(acetyloxy)-2-methylnaphthalen-1-yl acetate, 2-Methylnaphthalene-1,4-diyldiacetate, Acetomenaphthone, BAN, (4-acetoxy-3-methyl-1-naphthyl) acetate, Vitamin K4 (Standard), (4-acetyloxy-3-methylnaphthalen-1-yl) acetate, 1, 2-methyl-, diacetate, MLS004773967, MLS006010226, SCHEMBL209382, orb1305309, orb3141009, MENADIOL DIACETATE [MI], CHEMBL1479848, SCHEMBL29411342, CHEBI:31164, HY-B1508R, RYWSYCQQUDFMAU-UHFFFAOYSA-, HMS5083N06, 1,4-Diacetoxy-3-methyl-naphthalin, HY-B1508, MENADIOL DIACETATE [WHO-DD], Vitamin K4, >=98% (HPLC), 1, 4-Diacetoxy-2-methylnaphthalene, Tox21_111905, MSK159094, NSC403062, s4779, WLN: L66J BOV1 C1 EOV1, 2-Methyl-1,4-naphthoquinol diacetate, AKOS015907780, CCG-267042, CS-8181, AS-12656, CAS-573-20-6, SY054020, 4-(Acetyloxy)-2-methyl-1-naphthyl acetate, NS00033687, V0103, (4-acetyloxy-2-methylnaphthalen-1-yl) acetate, 4-(Acetyloxy)-2-methyl-1-naphthyl acetate #, Acetomenaphthone 100 microg/mL in Acetonitrile, D01676, D84089, SBI-0654047.0001, F241306, SR-01000883680, SR-01000883680-1, Q27276648, InChI=1/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 283.1 | - | 7.323 | [344] |
| 1-Butanol | 288.1 | - | 10.0 | [344] |
| 1-Butanol | 293.1 | - | 13.02 | [344] |
| 1-Butanol | 298.1 | - | 16.8 | [344] |
| 1-Butanol | 303.1 | - | 22.38 | [344] |
| 1-Butanol | 308.1 | - | 29.11 | [344] |
| 1-Butanol | 313.1 | - | 39.08 | [344] |
| 1-Butanol | 318.1 | - | 52.05 | [344] |
| 1-Butanol | 323.1 | - | 71.21 | [344] |
| 1-Pentanol | 283.1 | - | 6.431 | [344] |
| 1-Pentanol | 288.1 | - | 8.996 | [344] |
| 1-Pentanol | 293.1 | - | 11.95 | [344] |
| 1-Pentanol | 298.1 | - | 15.96 | [344] |
| 1-Pentanol | 303.1 | - | 21.97 | [344] |
| 1-Pentanol | 308.1 | - | 29.03 | [344] |
| 1-Pentanol | 313.1 | - | 39.17 | [344] |
| 1-Pentanol | 318.1 | - | 52.26 | [344] |
| 1-Pentanol | 323.1 | - | 68.76 | [344] |
| 1-Propanol | 283.1 | - | 9.254 | [344] |
| 1-Propanol | 288.1 | - | 12.01 | [344] |
| 1-Propanol | 293.1 | - | 16.42 | [344] |
| 1-Propanol | 298.1 | - | 21.76 | [344] |
| 1-Propanol | 303.1 | - | 27.55 | [344] |
| 1-Propanol | 308.1 | - | 36.53 | [344] |
| 1-Propanol | 313.1 | - | 48.09 | [344] |
| 1-Propanol | 318.1 | - | 63.91 | [344] |
| 1-Propanol | 323.1 | - | 86.74 | [344] |
| Amyl Acetate | 283.1 | - | 79.05 | [344] |
| Amyl Acetate | 288.1 | - | 92.36 | [344] |
| Amyl Acetate | 293.1 | - | 109.4 | [344] |
| Amyl Acetate | 298.1 | - | 126.4 | [344] |
| Amyl Acetate | 303.1 | - | 147.6 | [344] |
| Amyl Acetate | 308.1 | - | 175.1 | [344] |
| Amyl Acetate | 313.1 | - | 206.4 | [344] |
| Amyl Acetate | 318.1 | - | 246.6 | [344] |
| Amyl Acetate | 323.1 | - | 295.2 | [344] |
| Butyl acetate | 283.1 | - | 103.6 | [344] |
| Butyl acetate | 288.1 | - | 119.7 | [344] |
| Butyl acetate | 293.1 | - | 139.4 | [344] |
| Butyl acetate | 298.1 | - | 162.4 | [344] |
| Butyl acetate | 303.1 | - | 190.9 | [344] |
| Butyl acetate | 308.1 | - | 225.2 | [344] |
| Butyl acetate | 313.1 | - | 265.4 | [344] |
| Butyl acetate | 318.1 | - | 314.1 | [344] |
| Butyl acetate | 323.1 | - | 374.4 | [344] |
| Ethanol | 283.1 | - | 14.49 | [344] |
| Ethanol | 288.1 | - | 18.66 | [344] |
| Ethanol | 293.1 | - | 23.67 | [344] |
| Ethanol | 298.1 | - | 29.06 | [344] |
| Ethanol | 303.1 | - | 37.02 | [344] |
| Ethanol | 308.1 | - | 47.49 | [344] |
| Ethanol | 313.1 | - | 61.26 | [344] |
| Ethanol | 318.1 | - | 80.51 | [344] |
| Ethanol | 323.1 | - | 106.1 | [344] |
| Ethyl acetate | 283.1 | - | 198.5 | [344] |
| Ethyl acetate | 288.1 | - | 229.5 | [344] |
| Ethyl acetate | 293.1 | - | 263.2 | [344] |
| Ethyl acetate | 298.1 | - | 302.5 | [344] |
| Ethyl acetate | 303.1 | - | 349.3 | [344] |
| Ethyl acetate | 308.1 | - | 403.3 | [344] |
| Ethyl acetate | 313.1 | - | 474.4 | [344] |
| Ethyl acetate | 318.1 | - | 557.5 | [344] |
| Ethyl acetate | 323.1 | - | 649.4 | [344] |
| Isoamyl Alcohol | 283.1 | - | 5.787 | [344] |
| Isoamyl Alcohol | 288.1 | - | 7.854 | [344] |
| Isoamyl Alcohol | 293.1 | - | 10.03 | [344] |
| Isoamyl Alcohol | 298.1 | - | 13.28 | [344] |
| Isoamyl Alcohol | 303.1 | - | 18.11 | [344] |
| Isoamyl Alcohol | 308.1 | - | 24.1 | [344] |
| Isoamyl Alcohol | 313.1 | - | 32.3 | [344] |
| Isoamyl Alcohol | 318.1 | - | 43.21 | [344] |
| Isoamyl Alcohol | 323.1 | - | 58.95 | [344] |
| Isobutanol | 283.1 | - | 5.983 | [344] |
| Isobutanol | 288.1 | - | 8.156 | [344] |
| Isobutanol | 293.1 | - | 10.78 | [344] |
| Isobutanol | 298.1 | - | 14.7 | [344] |
| Isobutanol | 303.1 | - | 19.73 | [344] |
| Isobutanol | 308.1 | - | 26.63 | [344] |
| Isobutanol | 313.1 | - | 36.46 | [344] |
| Isobutanol | 318.1 | - | 50.04 | [344] |
| Isobutanol | 323.1 | - | 69.21 | [344] |
| Isopropanol | 283.1 | - | 6.341 | [344] |
| Isopropanol | 288.1 | - | 8.502 | [344] |
| Isopropanol | 293.1 | - | 11.32 | [344] |
| Isopropanol | 298.1 | - | 14.99 | [344] |
| Isopropanol | 303.1 | - | 20.34 | [344] |
| Isopropanol | 308.1 | - | 27.1 | [344] |
| Isopropanol | 313.1 | - | 36.6 | [344] |
| Isopropanol | 318.1 | - | 50.63 | [344] |
| Isopropanol | 323.1 | - | 69.59 | [344] |
| Methanol | 283.1 | - | 29.89 | [344] |
| Methanol | 288.1 | - | 36.75 | [344] |
| Methanol | 293.1 | - | 45.6 | [344] |
| Methanol | 298.1 | - | 56.11 | [344] |
| Methanol | 303.1 | - | 71.04 | [344] |
| Methanol | 308.1 | - | 88.45 | [344] |
| Methanol | 313.1 | - | 109.8 | [344] |
| Methanol | 318.1 | - | 139.5 | [344] |
| Methanol | 323.1 | - | 203.4 | [344] |
| Methyl acetate | 283.1 | - | 302.5 | [344] |
| Methyl acetate | 288.1 | - | 348.2 | [344] |
| Methyl acetate | 293.1 | - | 398.2 | [344] |
| Methyl acetate | 298.1 | - | 455.1 | [344] |
| Methyl acetate | 303.1 | - | 524.3 | [344] |
| Methyl acetate | 308.1 | - | 602.8 | [344] |
| Methyl acetate | 313.1 | - | 686.7 | [344] |
| Methyl acetate | 318.1 | - | 777.9 | [344] |
| Methyl acetate | 323.1 | - | 881.1 | [344] |
| Propyl acetate | 283.1 | - | 143.1 | [344] |
| Propyl acetate | 288.1 | - | 163.1 | [344] |
| Propyl acetate | 293.1 | - | 187.8 | [344] |
| Propyl acetate | 298.1 | - | 219.4 | [344] |
| Propyl acetate | 303.1 | - | 257.8 | [344] |
| Propyl acetate | 308.1 | - | 299.8 | [344] |
| Propyl acetate | 313.1 | - | 349.9 | [344] |
| Propyl acetate | 318.1 | - | 411.6 | [344] |
| Propyl acetate | 323.1 | - | 485.4 | [344] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 795.9583 |
| PMI2 | 1916.0024 |
| PMI3 | 2496.6029 |
| NPR1 | 0.3188 |
| NPR2 | 0.7674 |
| RadiusOfGyration | 3.1754 |
| InertialShapeFactor | 0.0010 |
| Eccentricity | 0.9478 |
| Asphericity | 0.3306 |
| SpherocityIndex | 0.0820 |
| PBF | 0.4890 |