![(E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile structure](/static/products/1024/1024891-50-6.webp)
(E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile
TL;DR: (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile (CAS 1024891-50-6) is a chemical compound with molecular formula C14H15F3N2O2S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfonyl-3-[4-(trifluoromethyl)anilino]prop-2-enenitrile
Also Known As: (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile, 2-tert-butylsulfonyl-3-[[4-(trifluoromethyl)phenyl]amino]prop-2-enenitrile, 2-tert-butylsulfonyl-3-[4-(trifluoromethyl)anilino]prop-2-enenitrile, (2E)-2-(2-methylpropane-2-sulfonyl)-3-{[4-(trifluoromethyl)phenyl]amino}prop-2-enenitrile, 2-((TERT-BUTYL)SULFONYL)-3-((4-(TRIFLUOROMETHYL)PHENYL)AMINO)PROP-2-ENENITRILE
| Molecular Formula | C14H15F3N2O2S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 3.69558 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.08063 |
| Heavy Atoms | 22 |
| Complexity | 706.4304 |
Chemical Identifiers
| CAS Number | 1024891-50-6 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C(=CNC1=CC=C(C=C1)C(F)(F)F)C#N |
Product Overview
(E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile (CAS 1024891-50-6), with molecular formula C14H15F3N2O2S and molecular weight 332.08 g/mol. IUPAC: 2-tert-butylsulfonyl-3-[4-(trifluoromethyl)anilino]prop-2-enenitrile.
Chemical Property Profile of (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile
Property Insights of (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile
The XLogP value of 3.69558 indicates that (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile 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-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile. Following Lipinski's Rule of Five, (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile 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-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile?
The CAS number of (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile is 1024891-50-6.
What is the molecular formula of (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile?
The molecular formula of (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile is C14H15F3N2O2S.
What is the molecular weight of (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile?
The molecular weight of (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile is 332.08 g/mol.
Where can I buy (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile?
You can request a quote for (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(tert-butylsulfonyl)-3-[4-(trifluoromethyl)anilino]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.