(E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile
TL;DR: (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile (CAS 1322288-01-6) is a chemical compound with molecular formula C24H20ClFN2O2S2 and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(2-ethylanilino)prop-2-enenitrile
Also Known As: (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile, (2E)-2-(BENZENESULFONYL)-3-{[(2-CHLORO-6-FLUOROPHENYL)METHYL]SULFANYL}-3-[(2-ETHYLPHENYL)AMINO]PROP-2-ENENITRILE, (E)-2-(benzenesulfonyl)-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(2-ethylanilino)prop-2-enenitrile, F1607-0176
| Molecular Formula | C24H20ClFN2O2S2 |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | 6.55338 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.06387 |
| Heavy Atoms | 32 |
| Complexity | 1266.6014 |
Chemical Identifiers
| CAS Number | 1322288-01-6 |
|---|---|
| SMILES | CCC1=CC=CC=C1N/C(=C(/C#N)\S(=O)(=O)C2=CC=CC=C2)/SCC3=C(C=CC=C3Cl)F |
Product Overview
(E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile (CAS 1322288-01-6), with molecular formula C24H20ClFN2O2S2 and molecular weight 486.06 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(2-ethylanilino)prop-2-enenitrile.
Chemical Property Profile of (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile
Property Insights of (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile
The XLogP value of 6.55338 indicates that (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile 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)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile?
The CAS number of (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile is 1322288-01-6.
What is the molecular formula of (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile?
The molecular formula of (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile is C24H20ClFN2O2S2.
What is the molecular weight of (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile?
The molecular weight of (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile is 486.06 g/mol.
Where can I buy (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile?
You can request a quote for (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((2-chloro-6-fluorobenzyl)thio)-3-((2-ethylphenyl)amino)-2-(phenylsulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.