![2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid structure](/static/products/2387/23871-97-8.webp)
2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid
TL;DR: 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid (CAS 23871-97-8) is a chemical compound with molecular formula C13H13NO6 and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,4-dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid
Also Known As: 2-[(1,4-dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid, Fumaric acid, (o-carboxyanilino)-,1,4-dimethyl ester (8CI)
| Molecular Formula | C13H13NO6 |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.07428 |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 23871-97-8 |
|---|---|
| SMILES | COC(=O)C=C(C(=O)OC)NC1=CC=CC=C1C(=O)O |
| InChIKey | BOEXTIYAFRLSPZ-UHFFFAOYSA-N |
Product Overview
2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid (CAS 23871-97-8), with molecular formula C13H13NO6 and molecular weight 279.07 g/mol. IUPAC: 2-[(1,4-dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid.
Chemical Property Profile of 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid
Property Insights of 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid has 2 hydrogen bond donor(s) and 7 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-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid?
The CAS number of 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid is 23871-97-8.
What is the molecular formula of 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid?
The molecular formula of 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid is C13H13NO6.
What is the molecular weight of 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid?
The molecular weight of 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid is 279.07 g/mol.
Where can I buy 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid?
You can request a quote for 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-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-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,4-Dimethoxy-1,4-dioxobut-2-en-2-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.