(17Z)-3-Oxopregna-4,17-diene-21-nitrile
TL;DR: (17Z)-3-Oxopregna-4,17-diene-21-nitrile (CAS 31020-63-0) is a chemical compound with molecular formula C21H27NO and molecular weight 309.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)acetonitrile
Also Known As: (17Z)-3-Oxopregna-4,17-diene-21-nitrile, (2Z)-2-(10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)acetonitrile
| Molecular Formula | C21H27NO |
|---|---|
| Molecular Weight | 309.21 g/mol |
| LogP | 4.96828 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.20926 |
| Heavy Atoms | 23 |
| Complexity | 651.2429 |
Chemical Identifiers
| CAS Number | 31020-63-0 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2CCC\4(C3CC/C4=C/C#N)C |
Product Overview
(17Z)-3-Oxopregna-4,17-diene-21-nitrile (CAS 31020-63-0), with molecular formula C21H27NO and molecular weight 309.21 g/mol. IUPAC: (2Z)-2-(10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)acetonitrile.
Chemical Property Profile of (17Z)-3-Oxopregna-4,17-diene-21-nitrile
Property Insights of (17Z)-3-Oxopregna-4,17-diene-21-nitrile
The XLogP value of 4.96828 indicates that (17Z)-3-Oxopregna-4,17-diene-21-nitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, (17Z)-3-Oxopregna-4,17-diene-21-nitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (17Z)-3-Oxopregna-4,17-diene-21-nitrile has 0 hydrogen bond donor(s) and 2 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 (17Z)-3-Oxopregna-4,17-diene-21-nitrile?
The CAS number of (17Z)-3-Oxopregna-4,17-diene-21-nitrile is 31020-63-0.
What is the molecular formula of (17Z)-3-Oxopregna-4,17-diene-21-nitrile?
The molecular formula of (17Z)-3-Oxopregna-4,17-diene-21-nitrile is C21H27NO.
What is the molecular weight of (17Z)-3-Oxopregna-4,17-diene-21-nitrile?
The molecular weight of (17Z)-3-Oxopregna-4,17-diene-21-nitrile is 309.21 g/mol.
Where can I buy (17Z)-3-Oxopregna-4,17-diene-21-nitrile?
You can request a quote for (17Z)-3-Oxopregna-4,17-diene-21-nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (17Z)-3-Oxopregna-4,17-diene-21-nitrile?
Yes, KEHONG BIO provides custom synthesis services for (17Z)-3-Oxopregna-4,17-diene-21-nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.