1-p-Tolyl-2-cyano-2-phenylsulfonylethylene
TL;DR: 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene (CAS 59584-38-2) is a chemical compound with molecular formula C16H13NO2S and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-(4-methylphenyl)prop-2-enenitrile
Also Known As: 1-p-tolyl-2-cyano-2-phenylsulfonylethylene, 1-p-Tolyl-2-cyano-2-phenylsulfonyl-ethylene, 2-(benzenesulfonyl)-3-(4-methylphenyl)prop-2-enenitrile, 2-Propenenitrile, 3-(4-methylphenyl)-2-(phenylsulfonyl)-, (E)-, 2-Propenenitrile, 3-(4-methylphenyl)-2-(phenylsulfonyl)-
| Molecular Formula | C16H13NO2S |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 3.3334 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0667 |
| Heavy Atoms | 20 |
| Complexity | 767.4766 |
Chemical Identifiers
| CAS Number | 59584-38-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
1-p-Tolyl-2-cyano-2-phenylsulfonylethylene (CAS 59584-38-2), with molecular formula C16H13NO2S and molecular weight 283.07 g/mol. IUPAC: 2-(benzenesulfonyl)-3-(4-methylphenyl)prop-2-enenitrile.
Chemical Property Profile of 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene
Property Insights of 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene
The XLogP value of 3.3334 indicates that 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.93 Ų, 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene 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 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene?
The CAS number of 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene is 59584-38-2.
What is the molecular formula of 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene?
The molecular formula of 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene is C16H13NO2S.
What is the molecular weight of 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene?
The molecular weight of 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene is 283.07 g/mol.
Where can I buy 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene?
You can request a quote for 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene?
Yes, KEHONG BIO provides custom synthesis services for 1-p-Tolyl-2-cyano-2-phenylsulfonylethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.