![2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid structure](/static/products/4046/4046-39-3.webp)
2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid
TL;DR: 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid (CAS 4046-39-3) is a chemical compound with molecular formula C20H14N2O6 and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid
Also Known As: 2-[[4-(2-carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid, 2-[[4-(2-carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]am, 2,2'-[(3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)diimino]dibenzoic acid, 2,6-DIOXO-1,4-CYCLOHEXADIENE-1,4-DIYL)DIIMINO]BIS(BENZOIC ACID), 2,2''-(3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(azanediyl)dibenzoic acid
| Molecular Formula | C20H14N2O6 |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.08517 |
| Heavy Atoms | 28 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 4046-39-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=CC(=O)C(=CC2=O)NC3=CC=CC=C3C(=O)O |
| InChIKey | ZICRATSMKAPMHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid (CAS 4046-39-3), with molecular formula C20H14N2O6 and molecular weight 378.09 g/mol. IUPAC: 2-[[4-(2-carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid.
Chemical Property Profile of 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid
Property Insights of 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid
The XLogP value of 3.7 indicates that 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid. Following Lipinski's Rule of Five, 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid has 4 hydrogen bond donor(s) and 8 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-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid?
The CAS number of 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid is 4046-39-3.
What is the molecular formula of 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid?
The molecular formula of 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid is C20H14N2O6.
What is the molecular weight of 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid?
The molecular weight of 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid is 378.09 g/mol.
Where can I buy 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid?
You can request a quote for 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-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-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(2-Carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.