![(2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile structure](/static/products/904/904210-71-5.png)
(2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
TL;DR: (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile (CAS 904210-71-5) is a chemical compound with molecular formula C15H17ClN2O2S and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(azepan-1-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
Also Known As: (E)-3-(azepan-1-yl)-2-((4-chlorophenyl)sulfonyl)acrylonitrile, (E)-3-(azepan-1-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile, (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
| Molecular Formula | C15H17ClN2O2S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.35468 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.06992 |
| Heavy Atoms | 21 |
| Complexity | 651.9092 |
Chemical Identifiers
| CAS Number | 904210-71-5 |
|---|---|
| SMILES | C1CCCN(CC1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
(2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile (CAS 904210-71-5), with molecular formula C15H17ClN2O2S and molecular weight 324.07 g/mol. IUPAC: (E)-3-(azepan-1-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
Property Insights of (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
The XLogP value of 3.35468 indicates that (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 4 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 (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile?
The CAS number of (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile is 904210-71-5.
What is the molecular formula of (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile?
The molecular formula of (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile is C15H17ClN2O2S.
What is the molecular weight of (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile?
The molecular weight of (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile is 324.07 g/mol.
Where can I buy (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile?
You can request a quote for (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(azepan-1-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.