(E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile
TL;DR: (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile (CAS 669752-27-6) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile
Also Known As: (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile, (2E)-3-[(4-methylphenyl)amino]-2-(phenylsulfonyl)prop-2-enenitrile, (2E)-3-[(4-methylphenyl)amino]-2-(phenylsulfonyl)acrylonitrile, 3-[(4-methylphenyl)amino]-2-(phenylsulfonyl)acrylonitrile, (2E)-2-(Benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.2458 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 786.42065 |
Chemical Identifiers
| CAS Number | 669752-27-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2 |
Product Overview
(E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile (CAS 669752-27-6), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile
Property Insights of (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile
The XLogP value of 3.2458 indicates that (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile has 1 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 (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile?
The CAS number of (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile is 669752-27-6.
What is the molecular formula of (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile?
The molecular formula of (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile is C16H14N2O2S.
What is the molecular weight of (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile?
The molecular weight of (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile is 298.08 g/mol.
Where can I buy (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile?
You can request a quote for (E)-2-(benzenesulfonyl)-3-(4-methylanilino)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 (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(benzenesulfonyl)-3-(4-methylanilino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.