(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
TL;DR: (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide (CAS 333345-67-8) is a chemical compound with molecular formula C16H11ClFN3O and molecular weight 315.06 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-(pyridin-3-ylmethyl)prop-2-enamide
Also Known As: BAS 00781205, (2E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide, (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide, 3-(2-Chloro-6-fluoro-phenyl)-2-cyano-N-pyridin-3-ylmethyl-acrylamide, 3-(2-chloro-6-fluorophenyl)-2-cyano-N-(3-pyridinylmethyl)acrylamide
| Molecular Formula | C16H11ClFN3O |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 3.09748 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.05746 |
| Heavy Atoms | 22 |
| Complexity | 733.4814 |
Chemical Identifiers
| CAS Number | 333345-67-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C(\C#N)/C(=O)NCC2=CN=CC=C2)F |
Product Overview
(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide (CAS 333345-67-8), with molecular formula C16H11ClFN3O and molecular weight 315.06 g/mol. IUPAC: (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
Property Insights of (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
The XLogP value of 3.09748 indicates that (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide has 1 hydrogen bond donor(s) and 3 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 (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide?
The CAS number of (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide is 333345-67-8.
What is the molecular formula of (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide?
The molecular formula of (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide is C16H11ClFN3O.
What is the molecular weight of (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide?
The molecular weight of (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide is 315.06 g/mol.
Where can I buy (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide?
You can request a quote for (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide 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-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.