Androstan-3,17-diol-11-one
TL;DR: Androstan-3,17-diol-11-one (CAS 82598-17-2) 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.
(8S,9S,10S,13S,14S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Also Known As: 3,17-Dihydroxyandrostan-11-one, Androstan-3,17-diol-11-one, Androstan-11-one, 3,17-dihydroxy-, A,17, A-Dihydroxy-aetiocholan-11-on
| Molecular Formula | C19H30O3 |
|---|---|
| Molecular Weight | 306.22 g/mol |
| LogP | 2.7 |
| 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 | 82598-17-2 |
|---|---|
| SMILES | C[C@]12CCC(CC1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4O)C)O |
| InChIKey | CEMLAYQDMWFPDU-HOSBWRAWSA-N |
Product Overview
Androstan-3,17-diol-11-one (CAS 82598-17-2), with molecular formula C19H30O3 and molecular weight 306.22 g/mol. IUPAC: (8S,9S,10S,13S,14S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one.
Chemical Property Profile of Androstan-3,17-diol-11-one
Property Insights of Androstan-3,17-diol-11-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Androstan-3,17-diol-11-one. With a topological polar surface area (TPSA) of 57.5 Ų, Androstan-3,17-diol-11-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Androstan-3,17-diol-11-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 Androstan-3,17-diol-11-one?
The CAS number of Androstan-3,17-diol-11-one is 82598-17-2.
What is the molecular formula of Androstan-3,17-diol-11-one?
The molecular formula of Androstan-3,17-diol-11-one is C19H30O3.
What is the molecular weight of Androstan-3,17-diol-11-one?
The molecular weight of Androstan-3,17-diol-11-one is 306.22 g/mol.
Where can I buy Androstan-3,17-diol-11-one?
You can request a quote for Androstan-3,17-diol-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Androstan-3,17-diol-11-one?
Yes, KEHONG BIO provides custom synthesis services for Androstan-3,17-diol-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.