2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid
TL;DR: 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid (CAS 889303-28-0) is a chemical compound with molecular formula C13H10ClN3O3S and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoic acid
Also Known As: 2-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid, SDCCGSBI-0659854.P001, VU0608962-1, F3290-0130, 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoic acid
| Molecular Formula | C13H10ClN3O3S |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 2.8024 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.01315 |
| Heavy Atoms | 21 |
| Complexity | 708.81085 |
Chemical Identifiers
| CAS Number | 889303-28-0 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)O)Cl |
Product Overview
2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid (CAS 889303-28-0), with molecular formula C13H10ClN3O3S and molecular weight 323.01 g/mol. IUPAC: 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoic acid.
Chemical Property Profile of 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid
Property Insights of 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid
The XLogP value of 2.8024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid. Following Lipinski's Rule of Five, 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid has 2 hydrogen bond donor(s) and 5 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-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid?
The CAS number of 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid is 889303-28-0.
What is the molecular formula of 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid?
The molecular formula of 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid is C13H10ClN3O3S.
What is the molecular weight of 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid?
The molecular weight of 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid is 323.01 g/mol.
Where can I buy 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid?
You can request a quote for 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)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-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Chloro-2-(methylthio)pyrimidine-4-carboxamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.