3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid
TL;DR: 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid (CAS 86635-09-8) is a chemical compound with molecular formula C17H14N2O6 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(3-carboxyanilino)-3-oxopropanoyl]amino]benzoic acid
Also Known As: NCI60_027638, 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid, 3-[[3-(3-carboxyanilino)-3-oxopropanoyl]amino]benzoic acid, Benzoic acid, 3,3'-[(1,3-dioxo-1,3-propanediyl)diimino]bis-, 3-[[3-(3-carboxyanilino)-3-oxo-propanoyl]amino]benzoic acid
| Molecular Formula | C17H14N2O6 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.08517 |
| Heavy Atoms | 25 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 86635-09-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CC(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)O |
| InChIKey | DUHRYWLCVXIPSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid (CAS 86635-09-8), with molecular formula C17H14N2O6 and molecular weight 342.09 g/mol. IUPAC: 3-[[3-(3-carboxyanilino)-3-oxopropanoyl]amino]benzoic acid.
Chemical Property Profile of 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid
Property Insights of 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid. Following Lipinski's Rule of Five, 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid has 4 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 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid?
The CAS number of 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid is 86635-09-8.
What is the molecular formula of 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid?
The molecular formula of 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid is C17H14N2O6.
What is the molecular weight of 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid?
The molecular weight of 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid is 342.09 g/mol.
Where can I buy 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid?
You can request a quote for 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)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 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.