![2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid structure](/static/products/3389/338960-20-6.webp)
2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid
TL;DR: 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid (CAS 338960-20-6) is a chemical compound with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-cyano-4-ethoxy-3,4-dioxobut-1-enyl)amino]benzoic acid
Also Known As: 2-[(2-cyano-4-ethoxy-3,4-dioxo-1-butenyl)amino]benzenecarboxylic acid, 2-[(2-CYANO-4-ETHOXY-3,4-DIOXOBUT-1-EN-1-YL)AMINO]BENZOIC ACID, 2-[(2-cyano-4-ethoxy-3,4-dioxobut-1-enyl)amino]benzoic acid, 2-[(2-cyano-3-ethoxycarbonyl-3-oxo-prop-1-enyl)amino]benzoic Acid
| Molecular Formula | C14H12N2O5 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 1.33638 |
| Topological Polar Surface Area | 116.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.07462 |
| Heavy Atoms | 21 |
| Complexity | 643.0096 |
Chemical Identifiers
| CAS Number | 338960-20-6 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(=CNC1=CC=CC=C1C(=O)O)C#N |
Product Overview
2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid (CAS 338960-20-6), with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol. IUPAC: 2-[(2-cyano-4-ethoxy-3,4-dioxobut-1-enyl)amino]benzoic acid.
Chemical Property Profile of 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid
Property Insights of 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid
The XLogP value of 1.33638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid. The TPSA of 116.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]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 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid?
The CAS number of 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid is 338960-20-6.
What is the molecular formula of 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid?
The molecular formula of 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid is C14H12N2O5.
What is the molecular weight of 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid?
The molecular weight of 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid is 288.07 g/mol.
Where can I buy 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid?
You can request a quote for 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]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-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Cyano-4-ethoxy-3,4-dioxobut-1-EN-1-YL)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.