![2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid structure](/static/products/3118/31185-80-5.webp)
2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid
TL;DR: 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid (CAS 31185-80-5) is a chemical compound with molecular formula C11H8ClN3O2 and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloropyrimidin-4-yl)amino]benzoic acid
Also Known As: 2-[(2-chloropyrimidin-4-yl)amino]benzoic acid, 2-Chloro-4-(o-carboxyphenylamino)pyrimidine, 2-[ amino]-benzoicacid, 2-((2-Chloropyrimidin-4-yl)amino)benzoic acid, BAS 01057623
| Molecular Formula | C11H8ClN3O2 |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 2.5718 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0305 |
| Heavy Atoms | 17 |
| Complexity | 559.9177 |
Chemical Identifiers
| CAS Number | 31185-80-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)Cl |
Product Overview
2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid (CAS 31185-80-5), with molecular formula C11H8ClN3O2 and molecular weight 249.03 g/mol. IUPAC: 2-[(2-chloropyrimidin-4-yl)amino]benzoic acid.
Chemical Property Profile of 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid
Property Insights of 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid
The XLogP value of 2.5718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid has 2 hydrogen bond donor(s) and 4 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-[(2-Chloropyrimidin-4-yl)amino]benzoic acid?
The CAS number of 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid is 31185-80-5.
What is the molecular formula of 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid?
The molecular formula of 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid is C11H8ClN3O2.
What is the molecular weight of 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid?
The molecular weight of 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid is 249.03 g/mol.
Where can I buy 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid?
You can request a quote for 2-[(2-Chloropyrimidin-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 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.