![2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid structure](/static/products/6031/6031-72-7.webp)
2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid
TL;DR: 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid (CAS 6031-72-7) is a chemical compound with molecular formula C21H12Cl2N2O4 and molecular weight 426.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
Also Known As: 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid, 2-chloro-5-(5-{(1E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid, 2-chloro-5-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid, 2-chloro-5-[5-[2-[(4-chlorophenyl)carbamoyl]-2-cyano-ethenyl]-2-furyl]benzoic Acid, (E)-2-chloro-5-(5-(3-((4-chlorophenyl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoic acid
| Molecular Formula | C21H12Cl2N2O4 |
|---|---|
| Molecular Weight | 426.02 g/mol |
| LogP | 5.49728 |
| Topological Polar Surface Area | 103.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.01743 |
| Heavy Atoms | 29 |
| Complexity | 1158.1693 |
Chemical Identifiers
| CAS Number | 6031-72-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)/C#N)Cl |
Product Overview
2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid (CAS 6031-72-7), with molecular formula C21H12Cl2N2O4 and molecular weight 426.02 g/mol. IUPAC: 2-chloro-5-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid
Property Insights of 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid
The XLogP value of 5.49728 indicates that 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid?
The CAS number of 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid is 6031-72-7.
What is the molecular formula of 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid?
The molecular formula of 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid is C21H12Cl2N2O4.
What is the molecular weight of 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid?
The molecular weight of 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid is 426.02 g/mol.
Where can I buy 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid?
You can request a quote for 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-(5-{3-[(4-chlorophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-2-furyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.