![4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid structure](/static/products/4441/444175-47-7.webp)
4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid
TL;DR: 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid (CAS 444175-47-7) is a chemical compound with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
Also Known As: 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid, 4-[5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid, 4-[5-[2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]ethenyl]-2-furyl]benzoic Acid
| Molecular Formula | C23H18N2O4 |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 4.80732 |
| Topological Polar Surface Area | 103.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.12665 |
| Heavy Atoms | 29 |
| Complexity | 1128.1161 |
Chemical Identifiers
| CAS Number | 444175-47-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)/C#N |
Product Overview
4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid (CAS 444175-47-7), with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol. IUPAC: 4-[5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid
Property Insights of 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid
The XLogP value of 4.80732 indicates that 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}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 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}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 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid?
The CAS number of 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid is 444175-47-7.
What is the molecular formula of 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid?
The molecular formula of 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid is C23H18N2O4.
What is the molecular weight of 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid?
The molecular weight of 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid is 386.13 g/mol.
Where can I buy 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid?
You can request a quote for 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}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 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.