(2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide
TL;DR: (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide (CAS 1164500-51-9) is a chemical compound with molecular formula C11H8ClFN2O and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide
Also Known As: (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide, 3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylacrylamide, 3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide, (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methyl-2-propenamide, (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide
| Molecular Formula | C11H8ClFN2O |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 2.13208 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.03091 |
| Heavy Atoms | 16 |
| Complexity | 470.9982 |
Chemical Identifiers
| CAS Number | 1164500-51-9 |
|---|---|
| SMILES | CNC(=O)/C(=C/C1=C(C=CC=C1Cl)F)/C#N |
Product Overview
(2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide (CAS 1164500-51-9), with molecular formula C11H8ClFN2O and molecular weight 238.03 g/mol. IUPAC: (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide.
Chemical Property Profile of (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide
Property Insights of (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide
The XLogP value of 2.13208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide. With a topological polar surface area (TPSA) of 52.89 Ų, (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide has 1 hydrogen bond donor(s) and 2 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-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide?
The CAS number of (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide is 1164500-51-9.
What is the molecular formula of (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide?
The molecular formula of (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide is C11H8ClFN2O.
What is the molecular weight of (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide?
The molecular weight of (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide is 238.03 g/mol.
Where can I buy (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide?
You can request a quote for (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-methylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.