![4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid structure](/static/products/3403/340301-09-9.webp)
4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid
TL;DR: 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid (CAS 340301-09-9) is a chemical compound with molecular formula C17H11ClN2O3 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
Also Known As: 4-[2-[(4-chlorophenyl)carbamoyl]-2-cyano-ethenyl]benzoic Acid, 4-[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid, 4-{(1Z)-2-[N-(4-chlorophenyl)carbamoyl]-2-cyanovinyl}benzoic acid, 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid, (Z)-4-(3-((4-chlorophenyl)amino)-2-cyano-3-oxoprop-1-en-1-yl)benzoic acid
| Molecular Formula | C17H11ClN2O3 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 3.58388 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0458 |
| Heavy Atoms | 23 |
| Complexity | 803.2273 |
Chemical Identifiers
| CAS Number | 340301-09-9 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid (CAS 340301-09-9), with molecular formula C17H11ClN2O3 and molecular weight 326.05 g/mol. IUPAC: 4-[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid.
Chemical Property Profile of 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid
Property Insights of 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid
The XLogP value of 3.58388 indicates that 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid has 2 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 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid?
The CAS number of 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid is 340301-09-9.
What is the molecular formula of 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid?
The molecular formula of 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid is C17H11ClN2O3.
What is the molecular weight of 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid?
The molecular weight of 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid is 326.05 g/mol.
Where can I buy 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid?
You can request a quote for 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.