5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
TL;DR: 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (CAS 838865-84-2) is a chemical compound with molecular formula C13H12ClN3O3S and molecular weight 325.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(2-methylphenyl)-2-methylsulfonylpyrimidine-4-carboxamide
Also Known As: 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide, 5-chloro-N-(2-methylphenyl)-2-methylsulfonylpyrimidine-4-carboxamide, 5-chloro-N-(2-methylphenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide, 5-chloro-N-(2-methylphenyl)-2-(methylsulfonyl)-4-pyrimidinecarboxamide
| Molecular Formula | C13H12ClN3O3S |
|---|---|
| Molecular Weight | 325.03 g/mol |
| LogP | 2.09422 |
| Topological Polar Surface Area | 89.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.02878 |
| Heavy Atoms | 21 |
| Complexity | 806.05884 |
Chemical Identifiers
| CAS Number | 838865-84-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C |
Product Overview
5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (CAS 838865-84-2), with molecular formula C13H12ClN3O3S and molecular weight 325.03 g/mol. IUPAC: 5-chloro-N-(2-methylphenyl)-2-methylsulfonylpyrimidine-4-carboxamide.
Chemical Property Profile of 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
Property Insights of 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
The XLogP value of 2.09422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide. The TPSA of 89.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide. Following Lipinski's Rule of Five, 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide has 1 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 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The CAS number of 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is 838865-84-2.
What is the molecular formula of 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The molecular formula of 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is C13H12ClN3O3S.
What is the molecular weight of 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The molecular weight of 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is 325.03 g/mol.
Where can I buy 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
You can request a quote for 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.