(17Z)-21-Nitrilopregn-17-en-3-yl acetate
TL;DR: (17Z)-21-Nitrilopregn-17-en-3-yl acetate (CAS 23017-29-0) is a chemical compound with molecular formula C23H33NO2 and molecular weight 355.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(17Z)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: (17Z)-21-Nitrilopregn-17-en-3-yl acetate, [(17Z)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C23H33NO2 |
|---|---|
| Molecular Weight | 355.25 g/mol |
| LogP | 5.41078 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.25113 |
| Heavy Atoms | 26 |
| Complexity | 661.6092 |
Chemical Identifiers
| CAS Number | 23017-29-0 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC\4(C3CC/C4=C/C#N)C)C |
Product Overview
(17Z)-21-Nitrilopregn-17-en-3-yl acetate (CAS 23017-29-0), with molecular formula C23H33NO2 and molecular weight 355.25 g/mol. IUPAC: [(17Z)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of (17Z)-21-Nitrilopregn-17-en-3-yl acetate
Property Insights of (17Z)-21-Nitrilopregn-17-en-3-yl acetate
The XLogP value of 5.41078 indicates that (17Z)-21-Nitrilopregn-17-en-3-yl acetate 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-Nitrilopregn-17-en-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (17Z)-21-Nitrilopregn-17-en-3-yl acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (17Z)-21-Nitrilopregn-17-en-3-yl acetate?
The CAS number of (17Z)-21-Nitrilopregn-17-en-3-yl acetate is 23017-29-0.
What is the molecular formula of (17Z)-21-Nitrilopregn-17-en-3-yl acetate?
The molecular formula of (17Z)-21-Nitrilopregn-17-en-3-yl acetate is C23H33NO2.
What is the molecular weight of (17Z)-21-Nitrilopregn-17-en-3-yl acetate?
The molecular weight of (17Z)-21-Nitrilopregn-17-en-3-yl acetate is 355.25 g/mol.
Where can I buy (17Z)-21-Nitrilopregn-17-en-3-yl acetate?
You can request a quote for (17Z)-21-Nitrilopregn-17-en-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (17Z)-21-Nitrilopregn-17-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (17Z)-21-Nitrilopregn-17-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.