17-Cyano-9,17-dihydroxyandrost-4-ene-3-one
TL;DR: 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one (CAS 116256-35-0) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,10S,13S,14S)-9,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbonitrile
Also Known As: 17-Cdaeo, 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one, 17beta-Cyano-9alpha,17alpha-dihydroxyandrost-4-en-3-one, 9,17alpha-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrile, 9,17-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrile
| Molecular Formula | C20H27NO3 |
|---|---|
| Molecular Weight | 329.20 g/mol |
| LogP | 2.88788 |
| Topological Polar Surface Area | 81.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.1991 |
| Heavy Atoms | 24 |
| Complexity | 678.8617 |
Chemical Identifiers
| CAS Number | 116256-35-0 |
|---|---|
| SMILES | C[C@]12CCC3([C@H]([C@@H]1CCC2(C#N)O)CCC4=CC(=O)CC[C@@]43C)O |
Product Overview
17-Cyano-9,17-dihydroxyandrost-4-ene-3-one (CAS 116256-35-0), with molecular formula C20H27NO3 and molecular weight 329.20 g/mol. IUPAC: (8S,10S,13S,14S)-9,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbonitrile.
Chemical Property Profile of 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one
Property Insights of 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one
The XLogP value of 2.88788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one. The TPSA of 81.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one. Following Lipinski's Rule of Five, 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one has 2 hydrogen bond donor(s) and 4 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 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one?
The CAS number of 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one is 116256-35-0.
What is the molecular formula of 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one?
The molecular formula of 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one is C20H27NO3.
What is the molecular weight of 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one?
The molecular weight of 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one is 329.20 g/mol.
Where can I buy 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one?
You can request a quote for 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17-Cyano-9,17-dihydroxyandrost-4-ene-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.