![4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile structure](/static/products/849/849047-00-3.png)
4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile
TL;DR: 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile (CAS 849047-00-3) is a chemical compound with molecular formula C17H12N2O2S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]benzonitrile
Also Known As: 4-[2-cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile, 4-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]benzonitrile, 4-(2-Nitrilo-2-((4-methylphenyl)sulfonyl)vinyl)benzenecarbonitrile, 4-[(1Z)-2-cyano-2-(4-methylbenzenesulfonyl)eth-1-en-1-yl]benzonitrile, 4-{(Z)-2-cyano-2-[(4-methylphenyl)sulfonyl]ethenyl}benzenecarbonitrile
| Molecular Formula | C17H12N2O2S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 3.20508 |
| Topological Polar Surface Area | 81.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.06195 |
| Heavy Atoms | 22 |
| Complexity | 895.1167 |
Chemical Identifiers
| CAS Number | 849047-00-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)C#N)C#N |
Product Overview
4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile (CAS 849047-00-3), with molecular formula C17H12N2O2S and molecular weight 308.06 g/mol. IUPAC: 4-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]benzonitrile.
Chemical Property Profile of 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile
Property Insights of 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile
The XLogP value of 3.20508 indicates that 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile. Following Lipinski's Rule of Five, 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile 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 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile?
The CAS number of 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile is 849047-00-3.
What is the molecular formula of 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile?
The molecular formula of 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile is C17H12N2O2S.
What is the molecular weight of 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile?
The molecular weight of 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile is 308.06 g/mol.
Where can I buy 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile?
You can request a quote for 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-Cyano-2-(p-tolylsulfonyl)vinyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.