17-Cyano-5,16-androstadien-3 beta-ol-3-acetate
TL;DR: 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate (CAS 22433-69-8) is a chemical compound with molecular formula C22H29NO2 and molecular weight 339.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S)-17-cyano-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 5,16-Anoa, 17-Cyano-5,16-androstadien-3beta-ol-3-acetate, 17-cyano-5,16-androstadien-3 beta-ol-3-acetate, 17-cyanoandrosta-5,16-dien-3-yl acetate, 17-Cyanoandrosta-5,16-dien-3beta-yl acetate
| Molecular Formula | C22H29NO2 |
|---|---|
| Molecular Weight | 339.22 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.21982 |
| Heavy Atoms | 25 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 22433-69-8 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C#N)C)C |
| InChIKey | HCTQIFCJBHHREQ-KKFDQILXSA-N |
Product Overview
17-Cyano-5,16-androstadien-3 beta-ol-3-acetate (CAS 22433-69-8), with molecular formula C22H29NO2 and molecular weight 339.22 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S)-17-cyano-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate
Property Insights of 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate
The XLogP value of 4.5 indicates that 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate has 0 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 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate?
The CAS number of 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate is 22433-69-8.
What is the molecular formula of 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate?
The molecular formula of 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate is C22H29NO2.
What is the molecular weight of 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate?
The molecular weight of 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate is 339.22 g/mol.
Where can I buy 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate?
You can request a quote for 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Cyano-5,16-androstadien-3 beta-ol-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.