p-Chlorobenzylidenecyanoacetamide
TL;DR: p-Chlorobenzylidenecyanoacetamide (CAS 19310-60-2) 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.
3-(4-chlorophenyl)-2-cyanoprop-2-enamide
Also Known As: 4-Chloro-alpha-cyanocinnamamide, p-chlorobenzylidenecyanoacetamide, UPCMLD0ENAT5833132:001, 3-(4-chlorophenyl)-2-cyanoprop-2-enamide, 3-(4-chlorophenyl)-2-cyano-prop-2-enamide
| Molecular Formula | C10H7ClN2O |
|---|---|
| Molecular Weight | 206.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.02469 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 19310-60-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=O)N)Cl |
| InChIKey | CXTSJKVCXQOGCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Chlorobenzylidenecyanoacetamide (CAS 19310-60-2), with molecular formula C10H7ClN2O and molecular weight 206.02 g/mol. IUPAC: 3-(4-chlorophenyl)-2-cyanoprop-2-enamide.
Chemical Property Profile of p-Chlorobenzylidenecyanoacetamide
Property Insights of p-Chlorobenzylidenecyanoacetamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Chlorobenzylidenecyanoacetamide. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Chlorobenzylidenecyanoacetamide. Following Lipinski's Rule of Five, p-Chlorobenzylidenecyanoacetamide 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 p-Chlorobenzylidenecyanoacetamide?
The CAS number of p-Chlorobenzylidenecyanoacetamide is 19310-60-2.
What is the molecular formula of p-Chlorobenzylidenecyanoacetamide?
The molecular formula of p-Chlorobenzylidenecyanoacetamide is C10H7ClN2O.
What is the molecular weight of p-Chlorobenzylidenecyanoacetamide?
The molecular weight of p-Chlorobenzylidenecyanoacetamide is 206.02 g/mol.
Where can I buy p-Chlorobenzylidenecyanoacetamide?
You can request a quote for p-Chlorobenzylidenecyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Chlorobenzylidenecyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for p-Chlorobenzylidenecyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.