(2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide
TL;DR: (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide (CAS 49678-55-9) is a chemical compound with molecular formula C10H7ClN2O and molecular weight 206.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
Also Known As: 4-Chloro-alpha-cyanocinnamamide, (2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enamide, 3-(4-chlorophenyl)-2-cyanoprop-2-enamide, alpha-Cyano-4-chloro-trans-cinnamamide, 3-(4-chlorophenyl)-2-cyano-prop-2-enamide
| Molecular Formula | C10H7ClN2O |
|---|---|
| Molecular Weight | 206.02 g/mol |
| LogP | 1.73228 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.02469 |
| Heavy Atoms | 14 |
| Complexity | 414.7433 |
Chemical Identifiers
| CAS Number | 49678-55-9 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)Cl |
Product Overview
(2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide (CAS 49678-55-9), with molecular formula C10H7ClN2O and molecular weight 206.02 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enamide.
Chemical Property Profile of (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide
Property Insights of (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide
The XLogP value of 1.73228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide. Following Lipinski's Rule of Five, (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide 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-(4-Chlorophenyl)-2-cyano-2-propenamide?
The CAS number of (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide is 49678-55-9.
What is the molecular formula of (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide?
The molecular formula of (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide is C10H7ClN2O.
What is the molecular weight of (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide?
The molecular weight of (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide is 206.02 g/mol.
Where can I buy (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide?
You can request a quote for (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.