3-Hydroxypregnane-21-nitrile
TL;DR: 3-Hydroxypregnane-21-nitrile (CAS 31020-68-5) is a chemical compound with molecular formula C21H33NO and molecular weight 315.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile
Also Known As: 3-hydroxypregnane-21-nitrile, [2]pyridyl-carbamic acid isopropyl ester, 2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile
| Molecular Formula | C21H33NO |
|---|---|
| Molecular Weight | 315.26 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.25623 |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 31020-68-5 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3CCC4CC#N)C)O |
| InChIKey | OPCMXKMPHKWUSD-UHFFFAOYSA-N |
Product Overview
3-Hydroxypregnane-21-nitrile (CAS 31020-68-5), with molecular formula C21H33NO and molecular weight 315.26 g/mol. IUPAC: 2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile.
Chemical Property Profile of 3-Hydroxypregnane-21-nitrile
Property Insights of 3-Hydroxypregnane-21-nitrile
The XLogP value of 5.3 indicates that 3-Hydroxypregnane-21-nitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Hydroxypregnane-21-nitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxypregnane-21-nitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxypregnane-21-nitrile?
The CAS number of 3-Hydroxypregnane-21-nitrile is 31020-68-5.
What is the molecular formula of 3-Hydroxypregnane-21-nitrile?
The molecular formula of 3-Hydroxypregnane-21-nitrile is C21H33NO.
What is the molecular weight of 3-Hydroxypregnane-21-nitrile?
The molecular weight of 3-Hydroxypregnane-21-nitrile is 315.26 g/mol.
Where can I buy 3-Hydroxypregnane-21-nitrile?
You can request a quote for 3-Hydroxypregnane-21-nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxypregnane-21-nitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxypregnane-21-nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.