N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide
TL;DR: N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide (CAS 353286-54-1) is a chemical compound with molecular formula C17H12ClN3O2 and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-(2-chloroanilino)-2-cyanoprop-2-enoyl]benzamide
Also Known As: N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide, AJ-030/12105986, N-[(E)-3-(2-chloroanilino)-2-cyanoprop-2-enoyl]benzamide
| Molecular Formula | C17H12ClN3O2 |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 3.11598 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0618 |
| Heavy Atoms | 23 |
| Complexity | 794.98584 |
Chemical Identifiers
| CAS Number | 353286-54-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=O)/C(=C/NC2=CC=CC=C2Cl)/C#N |
Product Overview
N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide (CAS 353286-54-1), with molecular formula C17H12ClN3O2 and molecular weight 325.06 g/mol. IUPAC: N-[(E)-3-(2-chloroanilino)-2-cyanoprop-2-enoyl]benzamide.
Chemical Property Profile of N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide
Property Insights of N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide
The XLogP value of 3.11598 indicates that N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide. Following Lipinski's Rule of Five, N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide has 2 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 N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide?
The CAS number of N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide is 353286-54-1.
What is the molecular formula of N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide?
The molecular formula of N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide is C17H12ClN3O2.
What is the molecular weight of N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide?
The molecular weight of N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide is 325.06 g/mol.
Where can I buy N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide?
You can request a quote for N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-3-(2-chloroanilino)-2-cyanoacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.