3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile
TL;DR: 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile (CAS 1025640-63-4) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylanilino)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: 3-((2,5-DIMETHYLPHENYL)AMINO)-2-((4-METHYLPHENYL)SULFONYL)PROP-2-ENENITRILE, 3-(2,5-dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile, 3-(2,5-dimethylanilino)-2-(4-methylphenyl)sulfonylprop-2-enenitrile, 3-[(2,5-dimethylphenyl)amino]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 3.86264 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 889.6091 |
Chemical Identifiers
| CAS Number | 1025640-63-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=C(C=CC(=C2)C)C)C#N |
Product Overview
3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile (CAS 1025640-63-4), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: 3-(2,5-dimethylanilino)-2-(4-methylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile
Property Insights of 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile
The XLogP value of 3.86264 indicates that 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)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 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)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 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The CAS number of 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is 1025640-63-4.
What is the molecular formula of 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The molecular formula of 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is C18H18N2O2S.
What is the molecular weight of 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The molecular weight of 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is 326.11 g/mol.
Where can I buy 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
You can request a quote for 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)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-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dimethylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.