![2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid structure](/static/products/100/1002084-79-8.png)
2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid
TL;DR: 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid (CAS 1002084-79-8) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
Also Known As: 2-[2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid, 2-[[(E)-2-cyano-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic Acid, 2-[[(E)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.33778 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 928.2096 |
Chemical Identifiers
| CAS Number | 1002084-79-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)OC |
Product Overview
2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid (CAS 1002084-79-8), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: 2-[[(E)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid
Property Insights of 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid
The XLogP value of 3.33778 indicates that 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid. Following Lipinski's Rule of Five, 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid has 2 hydrogen bond donor(s) and 5 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-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid?
The CAS number of 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid is 1002084-79-8.
What is the molecular formula of 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid?
The molecular formula of 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid is C20H18N2O5.
What is the molecular weight of 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid?
The molecular weight of 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid is 366.12 g/mol.
Where can I buy 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid?
You can request a quote for 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]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-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamido]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.