3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile
TL;DR: 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile (CAS 1026196-60-0) is a chemical compound with molecular formula C19H20N2O2S and molecular weight 340.12454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylphenyl)sulfonyl-3-(4-propan-2-ylanilino)prop-2-enenitrile
Also Known As: 3-((4-(ISOPROPYL)PHENYL)AMINO)-2-((4-METHYLPHENYL)SULFONYL)PROP-2-ENENITRILE, 3-(4-isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile, 2-(4-methylphenyl)sulfonyl-3-(4-propan-2-ylanilino)prop-2-enenitrile, 2-(4-methylphenyl)sulfonyl-3-[(4-propan-2-ylphenyl)amino]prop-2-enenitrile
Technical Specifications
| Molecular Formula | C19H20N2O2S |
| Molecular Weight | 340.12454 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.12454 Da |
| Heavy Atoms | 24 |
| Complexity | 579.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=C(C=C2)C(C)C)C#N |
| InChIKey | WQJSRCWJSPLQGJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile
Property Insights of 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile
The XLogP value of 4.8 indicates that 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(4-Isopropylanilino)-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
What is the CAS number of 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The CAS number of 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is 1026196-60-0.
What is the molecular formula of 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The molecular formula of 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is C19H20N2O2S.
What is the molecular weight of 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The molecular weight of 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is 340.12454 g/mol.
Where can I buy 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
You can request a quote for 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4-Isopropylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.