4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile
TL;DR: 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile (CAS 339276-65-2) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile
Also Known As: 5-(4-methoxyanilino)-4-(phenylsulfonyl)-2,4-pentadienenitrile, 4-(benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile, 4-(benzenesulfonyl)-5-[(4-methoxyphenyl)amino]penta-2,4-dienenitrile
| Molecular Formula | C18H16N2O3S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 3.50218 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.08817 |
| Heavy Atoms | 24 |
| Complexity | 878.11115 |
Chemical Identifiers
| CAS Number | 339276-65-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC=C(C=CC#N)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile (CAS 339276-65-2), with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol. IUPAC: 4-(benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile.
Chemical Property Profile of 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile
Property Insights of 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile
The XLogP value of 3.50218 indicates that 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile. Following Lipinski's Rule of Five, 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile 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 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile?
The CAS number of 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile is 339276-65-2.
What is the molecular formula of 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile?
The molecular formula of 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile is C18H16N2O3S.
What is the molecular weight of 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile?
The molecular weight of 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile is 340.09 g/mol.
Where can I buy 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile?
You can request a quote for 4-(Benzenesulfonyl)-5-(4-methoxyanilino)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-methoxyanilino)penta-2,4-dienenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzenesulfonyl)-5-(4-methoxyanilino)penta-2,4-dienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.