3,7-Dihydroxyandrostan-17-one
TL;DR: 3,7-Dihydroxyandrostan-17-one (CAS 21080-62-6) is a chemical compound with molecular formula C19H30O3 and molecular weight 306.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Also Known As: 3,7-Dihydroxyandrostan-17-one, 3,7-DHARN-17-one, A,7, A-dihydroxy-5, A-androstan-17-one
| Molecular Formula | C19H30O3 |
|---|---|
| Molecular Weight | 306.22 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.21948 |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 21080-62-6 |
|---|---|
| SMILES | C[C@]12CCC(CC1CC([C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O)O |
| InChIKey | VFPMCLQMAUVEHD-OEPYTSQDSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dihydroxyandrostan-17-one (CAS 21080-62-6), with molecular formula C19H30O3 and molecular weight 306.22 g/mol. IUPAC: (8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3,7-Dihydroxyandrostan-17-one
Property Insights of 3,7-Dihydroxyandrostan-17-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydroxyandrostan-17-one. With a topological polar surface area (TPSA) of 57.5 Ų, 3,7-Dihydroxyandrostan-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dihydroxyandrostan-17-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7-Dihydroxyandrostan-17-one?
The CAS number of 3,7-Dihydroxyandrostan-17-one is 21080-62-6.
What is the molecular formula of 3,7-Dihydroxyandrostan-17-one?
The molecular formula of 3,7-Dihydroxyandrostan-17-one is C19H30O3.
What is the molecular weight of 3,7-Dihydroxyandrostan-17-one?
The molecular weight of 3,7-Dihydroxyandrostan-17-one is 306.22 g/mol.
Where can I buy 3,7-Dihydroxyandrostan-17-one?
You can request a quote for 3,7-Dihydroxyandrostan-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dihydroxyandrostan-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydroxyandrostan-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.