![5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid structure](/static/products/5740/5740-33-0.webp)
5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid
TL;DR: 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid (CAS 5740-33-0) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(Z)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2-methoxybenzoic acid
Also Known As: BAS 01975521, 5-{2-cyano-3-[(4-ethylphenyl)amino]-3-oxo-1-propen-1-yl}-2-methoxybenzoic acid, 5-[2-Cyano-2-(4-ethyl-phenylcarbamoyl)-vinyl]-2-methoxy-benzoic acid, 5-[(Z)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2-methoxybenzoic acid, 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 3.50148 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 893.01746 |
Chemical Identifiers
| CAS Number | 5740-33-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC)C(=O)O)/C#N |
Product Overview
5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid (CAS 5740-33-0), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: 5-[(Z)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2-methoxybenzoic acid.
Chemical Property Profile of 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid
Property Insights of 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid
The XLogP value of 3.50148 indicates that 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid. Following Lipinski's Rule of Five, 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic 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 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid?
The CAS number of 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid is 5740-33-0.
What is the molecular formula of 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid?
The molecular formula of 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid is C20H18N2O4.
What is the molecular weight of 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid?
The molecular weight of 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid is 350.13 g/mol.
Where can I buy 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid?
You can request a quote for 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{(1Z)-2-cyano-2-[N-(4-ethylphenyl)carbamoyl]vinyl}-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.