4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile
TL;DR: 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile (CAS 339276-62-9) is a chemical compound with molecular formula C17H13ClN2O2S and molecular weight 344.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile
Also Known As: 4-(benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile, 5-(4-chloroanilino)-4-(phenylsulfonyl)-2,4-pentadienenitrile, 5-[(4-Chlorophenyl)amino]-4-(phenylsulfonyl)-2,4-pentadienenitrile, 4-(benzenesulfonyl)-5-[(4-chlorophenyl)amino]penta-2,4-dienenitrile
| Molecular Formula | C17H13ClN2O2S |
|---|---|
| Molecular Weight | 344.04 g/mol |
| LogP | 4.14698 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.03864 |
| Heavy Atoms | 23 |
| Complexity | 865.05945 |
Chemical Identifiers
| CAS Number | 339276-62-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=C(C=C2)Cl)C=CC#N |
Product Overview
4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile (CAS 339276-62-9), with molecular formula C17H13ClN2O2S and molecular weight 344.04 g/mol. IUPAC: 4-(benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile.
Chemical Property Profile of 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile
Property Insights of 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile
The XLogP value of 4.14698 indicates that 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile 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-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile. Following Lipinski's Rule of Five, 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile 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-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile?
The CAS number of 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile is 339276-62-9.
What is the molecular formula of 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile?
The molecular formula of 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile is C17H13ClN2O2S.
What is the molecular weight of 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile?
The molecular weight of 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile is 344.04 g/mol.
Where can I buy 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile?
You can request a quote for 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzenesulfonyl)-5-(4-chloroanilino)penta-2,4-dienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.