3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile
TL;DR: 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile (CAS 861207-93-4) is a chemical compound with molecular formula C17H14ClNO3S and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: Bionet2_001671, 3-(3-chloro-4-methoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile, 3-(3-CHLORO-4-METHOXYPHENYL)-2-((4-METHYLPHENYL)SULFONYL)PROP-2-ENENITRILE, 3-(3-chloro-4-methoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile, 3-(3-chloro-4-methoxyphenyl)-2-[(4-methylphenyl)sulfonyl]acrylonitrile
| Molecular Formula | C17H14ClNO3S |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 3.9954 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0383 |
| Heavy Atoms | 23 |
| Complexity | 894.42596 |
Chemical Identifiers
| CAS Number | 861207-93-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C=C2)OC)Cl)C#N |
Product Overview
3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile (CAS 861207-93-4), with molecular formula C17H14ClNO3S and molecular weight 347.04 g/mol. IUPAC: 3-(3-chloro-4-methoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile
Property Insights of 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile
The XLogP value of 3.9954 indicates that 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)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 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile?
The CAS number of 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile is 861207-93-4.
What is the molecular formula of 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile?
The molecular formula of 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile is C17H14ClNO3S.
What is the molecular weight of 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile?
The molecular weight of 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile is 347.04 g/mol.
Where can I buy 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile?
You can request a quote for 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)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 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.