17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile
TL;DR: 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile (CAS 132639-68-0) is a chemical compound with molecular formula C23H31NO4 and molecular weight 385.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S)-17-cyano-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate
Also Known As: EtOCO2-OACN, 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile, 17alpha-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile, 17-Cyano-3-oxoandrost-4-en-17-yl ethyl carbonate, [(8R,9S,10R,13S,14S)-17-cyano-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate
| Molecular Formula | C23H31NO4 |
|---|---|
| Molecular Weight | 385.23 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.2253 |
| Heavy Atoms | 28 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 132639-68-0 |
|---|---|
| SMILES | CCOC(=O)OC1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C#N |
| InChIKey | ZVAOAJHHLVZEAV-UCPDIXLFSA-N |
Product Overview
17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile (CAS 132639-68-0), with molecular formula C23H31NO4 and molecular weight 385.23 g/mol. IUPAC: [(8R,9S,10R,13S,14S)-17-cyano-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate.
Chemical Property Profile of 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile
Property Insights of 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile
The XLogP value of 4.5 indicates that 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile. Following Lipinski's Rule of Five, 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile has 0 hydrogen bond donor(s) and 5 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-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile?
The CAS number of 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile is 132639-68-0.
What is the molecular formula of 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile?
The molecular formula of 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile is C23H31NO4.
What is the molecular weight of 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile?
The molecular weight of 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile is 385.23 g/mol.
Where can I buy 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile?
You can request a quote for 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 17-Ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.