![2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid structure](/static/products/3403/340318-73-2.webp)
2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
TL;DR: 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid (CAS 340318-73-2) is a chemical compound with molecular formula C21H12ClFN2O4 and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
Also Known As: 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid, 2-chloro-4-(5-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid, 2-chloro-4-[5-[2-cyano-2-[(4-fluorophenyl)carbamoyl]ethenyl]-2-furyl]benzoic Acid, (Z)-2-chloro-4-(5-(2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)furan-2-yl)benzoic acid
| Molecular Formula | C21H12ClFN2O4 |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 4.98298 |
| Topological Polar Surface Area | 103.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.04697 |
| Heavy Atoms | 29 |
| Complexity | 1160.1693 |
Chemical Identifiers
| CAS Number | 340318-73-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)/C#N)F |
Product Overview
2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid (CAS 340318-73-2), with molecular formula C21H12ClFN2O4 and molecular weight 410.05 g/mol. IUPAC: 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
Property Insights of 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
The XLogP value of 4.98298 indicates that 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]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-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid. Following Lipinski's Rule of Five, 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid 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 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid?
The CAS number of 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is 340318-73-2.
What is the molecular formula of 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid?
The molecular formula of 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is C21H12ClFN2O4.
What is the molecular weight of 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid?
The molecular weight of 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is 410.05 g/mol.
Where can I buy 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid?
You can request a quote for 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-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 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-4-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.