2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile
TL;DR: 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile (CAS 1024903-36-3) is a chemical compound with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile
Also Known As: 2-(benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile, 3-((4-PHENOXYPHENYL)AMINO)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE, 2-(benzenesulfonyl)-3-[(4-phenoxyphenyl)amino]prop-2-enenitrile
| Molecular Formula | C21H16N2O3S |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 4.72968 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.08817 |
| Heavy Atoms | 27 |
| Complexity | 1069.7805 |
Chemical Identifiers
| CAS Number | 1024903-36-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NC=C(C#N)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile (CAS 1024903-36-3), with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol. IUPAC: 2-(benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile.
Chemical Property Profile of 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile
Property Insights of 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile
The XLogP value of 4.72968 indicates that 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile 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 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)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-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile?
The CAS number of 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile is 1024903-36-3.
What is the molecular formula of 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile?
The molecular formula of 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile is C21H16N2O3S.
What is the molecular weight of 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile?
The molecular weight of 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile is 376.09 g/mol.
Where can I buy 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile?
You can request a quote for 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)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-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzenesulfonyl)-3-(4-phenoxyanilino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.