![4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid structure](/static/products/1752/175204-30-5.webp)
4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid
TL;DR: 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid (CAS 175204-30-5) is a chemical compound with molecular formula C13H11NO5 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]benzoic acid
Also Known As: 4-[(2-ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid, 4-[(2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]benzoic acid, 4-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]benzoic acid, 3,4-di(propylamino)cyclobut-3-ene-1,2-dione, I14-34976
| Molecular Formula | C13H11NO5 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 1.1231 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.06372 |
| Heavy Atoms | 19 |
| Complexity | 679.92737 |
Chemical Identifiers
| CAS Number | 175204-30-5 |
|---|---|
| SMILES | CCOC1=C(C(=O)C1=O)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid (CAS 175204-30-5), with molecular formula C13H11NO5 and molecular weight 261.06 g/mol. IUPAC: 4-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]benzoic acid.
Chemical Property Profile of 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid
Property Insights of 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid
The XLogP value of 1.1231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]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 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid?
The CAS number of 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid is 175204-30-5.
What is the molecular formula of 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid?
The molecular formula of 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid is C13H11NO5.
What is the molecular weight of 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid?
The molecular weight of 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid is 261.06 g/mol.
Where can I buy 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid?
You can request a quote for 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)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 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Ethoxy-3,4-dioxocyclobut-1-enyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.