(17Z)-3-Hydroxypregna-5,17-diene-21-nitrile
TL;DR: (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile (CAS 17666-64-7) is a chemical compound with molecular formula C21H29NO and molecular weight 311.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene)acetonitrile
Also Known As: (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile, (2Z)-2-(3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene)acetonitrile
| Molecular Formula | C21H29NO |
|---|---|
| Molecular Weight | 311.22 g/mol |
| LogP | 4.76008 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.2249 |
| Heavy Atoms | 23 |
| Complexity | 611.82135 |
Chemical Identifiers
| CAS Number | 17666-64-7 |
|---|---|
| SMILES | CC1\2CCC3C(C1CC/C2=C/C#N)CC=C4C3(CCC(C4)O)C |
Product Overview
(17Z)-3-Hydroxypregna-5,17-diene-21-nitrile (CAS 17666-64-7), with molecular formula C21H29NO and molecular weight 311.22 g/mol. IUPAC: (2Z)-2-(3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene)acetonitrile.
Chemical Property Profile of (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile
Property Insights of (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile
The XLogP value of 4.76008 indicates that (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.02 Ų, (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile has 1 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-Hydroxypregna-5,17-diene-21-nitrile?
The CAS number of (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile is 17666-64-7.
What is the molecular formula of (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile?
The molecular formula of (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile is C21H29NO.
What is the molecular weight of (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile?
The molecular weight of (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile is 311.22 g/mol.
Where can I buy (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile?
You can request a quote for (17Z)-3-Hydroxypregna-5,17-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-Hydroxypregna-5,17-diene-21-nitrile?
Yes, KEHONG BIO provides custom synthesis services for (17Z)-3-Hydroxypregna-5,17-diene-21-nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.