![2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile structure](/static/products/1025/1025311-37-8.webp)
2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile
TL;DR: 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile (CAS 1025311-37-8) is a chemical compound with molecular formula C16H12F3N3O2S and molecular weight 367.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]prop-2-enenitrile
Also Known As: 2-((4-METHYLPHENYL)SULFONYL)-3-((5-(TRIFLUOROMETHYL)(2-PYRIDYL))AMINO)PROP-2-ENENITRILE, 2-(4-methylphenyl)sulfonyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]prop-2-enenitrile, 2-(p-tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile
| Molecular Formula | C16H12F3N3O2S |
|---|---|
| Molecular Weight | 367.06 g/mol |
| LogP | 3.6596 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.06024 |
| Heavy Atoms | 25 |
| Complexity | 926.5756 |
Chemical Identifiers
| CAS Number | 1025311-37-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC=C(C=C2)C(F)(F)F)C#N |
Product Overview
2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile (CAS 1025311-37-8), with molecular formula C16H12F3N3O2S and molecular weight 367.06 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]prop-2-enenitrile.
Chemical Property Profile of 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile
Property Insights of 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile
The XLogP value of 3.6596 indicates that 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 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 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile?
The CAS number of 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile is 1025311-37-8.
What is the molecular formula of 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile?
The molecular formula of 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile is C16H12F3N3O2S.
What is the molecular weight of 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile?
The molecular weight of 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile is 367.06 g/mol.
Where can I buy 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile?
You can request a quote for 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]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 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(p-Tolylsulfonyl)-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.