![3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid structure](/static/products/670/67026-25-9.png)
3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid
TL;DR: 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid (CAS 67026-25-9) is a chemical compound with molecular formula C18H14N4O4 and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(3-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid
Also Known As: 2,4-di-(m-carboxyphenylamino)pyrimidine, 3,3'-(2,4-pyrimidinediyldiimino)dibenzoic acid, 3-[[2-(3-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid, 3,3'-(pyrimidine-2,4-diylbis(azanediyl))dibenzoic acid, 3-[[2-[(3-carboxyphenyl)amino]pyrimidin-4-yl]amino]benzoic Acid
| Molecular Formula | C18H14N4O4 |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 3.3602 |
| Topological Polar Surface Area | 124.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.1015 |
| Heavy Atoms | 26 |
| Complexity | 899.91473 |
Chemical Identifiers
| CAS Number | 67026-25-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)O)C(=O)O |
Product Overview
3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid (CAS 67026-25-9), with molecular formula C18H14N4O4 and molecular weight 350.10 g/mol. IUPAC: 3-[[2-(3-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid.
Chemical Property Profile of 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid
Property Insights of 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid
The XLogP value of 3.3602 indicates that 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]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-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid?
The CAS number of 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid is 67026-25-9.
What is the molecular formula of 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid?
The molecular formula of 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid is C18H14N4O4.
What is the molecular weight of 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid?
The molecular weight of 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid is 350.10 g/mol.
Where can I buy 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid?
You can request a quote for 3-[[2-(3-Carboxyanilino)pyrimidin-4-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 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.