3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile
TL;DR: 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile (CAS 1025637-02-8) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylphenyl)sulfonyl-3-(prop-2-ynylamino)prop-2-enenitrile
Also Known As: 2-((4-METHYLPHENYL)SULFONYL)-3-(PROP-2-YNYLAMINO)PROP-2-ENENITRILE, 2-(4-methylphenyl)sulfonyl-3-(prop-2-ynylamino)prop-2-enenitrile, 3-(prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C13H12N2O2S |
| Molecular Weight | 260.06195 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06195 Da |
| Heavy Atoms | 18 |
| Complexity | 502.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNCC#C)C#N |
| InChIKey | ZDWPLPOLSLIVNL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile
Property Insights of 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(Prop-2-ynylamino)-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-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The CAS number of 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile is 1025637-02-8.
What is the molecular formula of 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The molecular formula of 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile is C13H12N2O2S.
What is the molecular weight of 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The molecular weight of 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile is 260.06195 g/mol.
Where can I buy 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
You can request a quote for 3-(Prop-2-ynylamino)-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-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(Prop-2-ynylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.