![4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid structure](/static/products/3402/340228-01-5.webp)
4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid
TL;DR: 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid (CAS 340228-01-5) is a chemical compound with molecular formula C27H24N2O6 and molecular weight 472.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]benzoic acid
Also Known As: 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid, 4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]benzoic acid, 4-[[4-[2-cyano-2-[(4-methoxyphenyl)carbamoyl]ethenyl]-2-ethoxy-phenoxy]methyl]benzoic Acid, (Z)-4-((4-(2-cyano-3-((4-methoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-2-ethoxyphenoxy)methyl)benzoic acid, 4-[[4-[(Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]methyl]benzoic acid
| Molecular Formula | C27H24N2O6 |
|---|---|
| Molecular Weight | 472.16 g/mol |
| LogP | 4.91678 |
| Topological Polar Surface Area | 117.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.16342 |
| Heavy Atoms | 35 |
| Complexity | 1258.3241 |
Chemical Identifiers
| CAS Number | 340228-01-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid (CAS 340228-01-5), with molecular formula C27H24N2O6 and molecular weight 472.16 g/mol. IUPAC: 4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid
Property Insights of 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid
The XLogP value of 4.91678 indicates that 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid has 2 hydrogen bond donor(s) and 6 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-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid?
The CAS number of 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid is 340228-01-5.
What is the molecular formula of 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid?
The molecular formula of 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid is C27H24N2O6.
What is the molecular weight of 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid?
The molecular weight of 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid is 472.16 g/mol.
Where can I buy 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid?
You can request a quote for 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]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-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.