3,17-二羟基孕甾-5-烯-21-腈
TL;DR: 3,17-二羟基孕甾-5-烯-21-腈 (CAS 38711-20-5) is a chemical compound with molecular formula C21H31NO2 and molecular weight 329.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,17-二羟基孕甾-5-烯-21-腈
2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile
Also Known As: 3,17-dihydroxypregn-5-ene-21-nitrile, Cyclopentanone,2,5-bis[[4-(diethylamino)-2-methylphenyl]methylene], 2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile, 2-[(8R,9S,10R,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]acetonitrile, 2-[10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile
| Molecular Formula | C21H31NO2 |
|---|---|
| Molecular Weight | 329.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.23547 |
| Heavy Atoms | 24 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 38711-20-5 |
|---|---|
| SMILES | CC12CCC(CC1=CCC3C2CCC4(C3CCC4(CC#N)O)C)O |
| InChIKey | PVJTWKXCNGTZRG-UHFFFAOYSA-N |
Product Overview
3,17-二羟基孕甾-5-烯-21-腈 (CAS 38711-20-5), with molecular formula C21H31NO2 and molecular weight 329.24 g/mol. IUPAC: 2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile.
Chemical Property Profile of 3,17-二羟基孕甾-5-烯-21-腈
Property Insights of 3,17-二羟基孕甾-5-烯-21-腈
The XLogP value of 3.6 indicates that 3,17-二羟基孕甾-5-烯-21-腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,17-二羟基孕甾-5-烯-21-腈. Following Lipinski's Rule of Five, 3,17-二羟基孕甾-5-烯-21-腈 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 3,17-二羟基孕甾-5-烯-21-腈?
The CAS number of 3,17-二羟基孕甾-5-烯-21-腈 is 38711-20-5.
What is the molecular formula of 3,17-二羟基孕甾-5-烯-21-腈?
The molecular formula of 3,17-二羟基孕甾-5-烯-21-腈 is C21H31NO2.
What is the molecular weight of 3,17-二羟基孕甾-5-烯-21-腈?
The molecular weight of 3,17-二羟基孕甾-5-烯-21-腈 is 329.24 g/mol.
Where can I buy 3,17-二羟基孕甾-5-烯-21-腈?
You can request a quote for 3,17-二羟基孕甾-5-烯-21-腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,17-二羟基孕甾-5-烯-21-腈?
Yes, KEHONG BIO provides custom synthesis services for 3,17-二羟基孕甾-5-烯-21-腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.