(17Z)-21-Nitrilopregna-5,17-dien-3-yl formate
TL;DR: (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate (CAS 31020-62-9) is a chemical compound with molecular formula C22H29NO2 and molecular weight 339.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(17Z)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] formate
Also Known As: (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate, [(17Z)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] formate
| Molecular Formula | C22H29NO2 |
|---|---|
| Molecular Weight | 339.22 g/mol |
| LogP | 4.94078 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.21982 |
| Heavy Atoms | 25 |
| Complexity | 672.00494 |
Chemical Identifiers
| CAS Number | 31020-62-9 |
|---|---|
| SMILES | CC1\2CCC3C(C1CC/C2=C/C#N)CC=C4C3(CCC(C4)OC=O)C |
Product Overview
(17Z)-21-Nitrilopregna-5,17-dien-3-yl formate (CAS 31020-62-9), with molecular formula C22H29NO2 and molecular weight 339.22 g/mol. IUPAC: [(17Z)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] formate.
Chemical Property Profile of (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate
Property Insights of (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate
The XLogP value of 4.94078 indicates that (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate has 0 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 (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate?
The CAS number of (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate is 31020-62-9.
What is the molecular formula of (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate?
The molecular formula of (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate is C22H29NO2.
What is the molecular weight of (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate?
The molecular weight of (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate is 339.22 g/mol.
Where can I buy (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate?
You can request a quote for (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate?
Yes, KEHONG BIO provides custom synthesis services for (17Z)-21-Nitrilopregna-5,17-dien-3-yl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.