TL;DR: 9,11-Epoxy-17-hydroxy-17-methylandrost-4-en-3-one, (9beta,11beta,17beta)- (CAS 113793-52-5) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2S,10S,11S,14S,15S,17S)-14-hydroxy-2,14,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-5-one
Also Known As: 9,11-Epoxy-17-hydroxy-17-methylandrost-4-en-3-one, (9beta,11beta,17beta)-, J2.790.751B, 9beta,11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one, A,11, A-epoxy-17
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.20386 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 316.20386 Da |
| Heavy Atoms | 23 |
| Complexity | 639.0 |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]24[C@@H](O4)C[C@]5([C@H]3CC[C@]5(C)O)C |
| InChIKey | BJYNFFFDYZKDTE-NPBKEMFKSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,11-Epoxy-17-hydroxy-17-methylandrost-4-en-3-one, (9beta,11beta,17beta)-. With a topological polar surface area (TPSA) of 49.8 Ų, 9,11-Epoxy-17-hydroxy-17-methylandrost-4-en-3-one, (9beta,11beta,17beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,11-Epoxy-17-hydroxy-17-methylandrost-4-en-3-one, (9beta,11beta,17beta)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9,11-Epoxy-17-hydroxy-17-methylandrost-4-en-3-one, (9beta,11beta,17beta)- is 113793-52-5.
The molecular formula of 9,11-Epoxy-17-hydroxy-17-methylandrost-4-en-3-one, (9beta,11beta,17beta)- is C20H28O3.
The molecular weight of 9,11-Epoxy-17-hydroxy-17-methylandrost-4-en-3-one, (9beta,11beta,17beta)- is 316.20386 g/mol.
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