![2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid structure](/static/products/5908/5908-50-9.webp)
2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
TL;DR: 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid (CAS 5908-50-9) is a chemical compound with molecular formula C21H13ClN2O4 and molecular weight 392.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
Also Known As: DODECANE-1-14C, 2-[5-[2-[(4-chlorophenyl)carbamoyl]-2-cyano-ethenyl]-2-furyl]benzoic Acid, 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
| Molecular Formula | C21H13ClN2O4 |
|---|---|
| Molecular Weight | 392.06 g/mol |
| LogP | 4.84388 |
| Topological Polar Surface Area | 103.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0564 |
| Heavy Atoms | 28 |
| Complexity | 1107.9343 |
Chemical Identifiers
| CAS Number | 5908-50-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)Cl)C(=O)O |
Product Overview
2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid (CAS 5908-50-9), with molecular formula C21H13ClN2O4 and molecular weight 392.06 g/mol. IUPAC: 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
Property Insights of 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
The XLogP value of 4.84388 indicates that 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-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-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid. Following Lipinski's Rule of Five, 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-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-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid?
The CAS number of 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is 5908-50-9.
What is the molecular formula of 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid?
The molecular formula of 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is C21H13ClN2O4.
What is the molecular weight of 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid?
The molecular weight of 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is 392.06 g/mol.
Where can I buy 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid?
You can request a quote for 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-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-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.