![4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile structure](/static/products/3392/339276-63-0.webp)
4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile
TL;DR: 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile (CAS 339276-63-0) is a chemical compound with molecular formula C18H13F3N2O2S and molecular weight 378.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-5-[4-(trifluoromethyl)anilino]penta-2,4-dienenitrile
Also Known As: Bionet1_002511, 4-(phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile, 4-(benzenesulfonyl)-5-[4-(trifluoromethyl)anilino]penta-2,4-dienenitrile
| Molecular Formula | C18H13F3N2O2S |
|---|---|
| Molecular Weight | 378.06 g/mol |
| LogP | 4.51238 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.06497 |
| Heavy Atoms | 26 |
| Complexity | 956.2361 |
Chemical Identifiers
| CAS Number | 339276-63-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=C(C=C2)C(F)(F)F)C=CC#N |
Product Overview
4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile (CAS 339276-63-0), with molecular formula C18H13F3N2O2S and molecular weight 378.06 g/mol. IUPAC: 4-(benzenesulfonyl)-5-[4-(trifluoromethyl)anilino]penta-2,4-dienenitrile.
Chemical Property Profile of 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile
Property Insights of 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile
The XLogP value of 4.51238 indicates that 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile 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 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile. Following Lipinski's Rule of Five, 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile 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 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile?
The CAS number of 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile is 339276-63-0.
What is the molecular formula of 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile?
The molecular formula of 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile is C18H13F3N2O2S.
What is the molecular weight of 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile?
The molecular weight of 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile is 378.06 g/mol.
Where can I buy 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile?
You can request a quote for 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylsulfonyl)-5-[4-(trifluoromethyl)anilino]-2,4-pentadienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.