(2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile
TL;DR: (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile (CAS 339107-60-7) is a chemical compound with molecular formula C11H11FN2O2S and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(dimethylamino)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
Also Known As: (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile, 3-(dimethylamino)-2-[(4-fluorophenyl)sulfonyl]acrylonitrile, (E)-3-(dimethylamino)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile, (E)-3-(dimethylamino)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile, C11H11FN2O2S
| Molecular Formula | C11H11FN2O2S |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 1.52598 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.05252 |
| Heavy Atoms | 17 |
| Complexity | 568.48413 |
Chemical Identifiers
| CAS Number | 339107-60-7 |
|---|---|
| SMILES | CN(C)/C=C(\C#N)/S(=O)(=O)C1=CC=C(C=C1)F |
Product Overview
(2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile (CAS 339107-60-7), with molecular formula C11H11FN2O2S and molecular weight 254.05 g/mol. IUPAC: (E)-3-(dimethylamino)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile
Property Insights of (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile
The XLogP value of 1.52598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile has 0 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 (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile?
The CAS number of (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile is 339107-60-7.
What is the molecular formula of (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile?
The molecular formula of (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile is C11H11FN2O2S.
What is the molecular weight of (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile?
The molecular weight of (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile is 254.05 g/mol.
Where can I buy (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile?
You can request a quote for (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)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 (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(dimethylamino)-2-(4-fluorobenzenesulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.