6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
TL;DR: 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid (CAS 74129-15-0) is a chemical compound with molecular formula C7H7ClN2O2S and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-5-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid
Also Known As: 6-chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid, 6-chloro-5-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid, 6-Chloro-5-methyl-2-(methylthio)pyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylicacid, 6-chloro-5-methyl-2-(methylthio)-, 872-645-3
| Molecular Formula | C7H7ClN2O2S |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.99167 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 74129-15-0 |
|---|---|
| SMILES | CC1=C(N=C(N=C1Cl)SC)C(=O)O |
| InChIKey | DCPVIQOHNZCUJY-UHFFFAOYSA-N |
Product Overview
6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid (CAS 74129-15-0), with molecular formula C7H7ClN2O2S and molecular weight 217.99 g/mol. IUPAC: 6-chloro-5-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid.
Chemical Property Profile of 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
Property Insights of 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid 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 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid?
The CAS number of 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid is 74129-15-0.
What is the molecular formula of 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid?
The molecular formula of 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid is C7H7ClN2O2S.
What is the molecular weight of 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid?
The molecular weight of 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid is 217.99 g/mol.
Where can I buy 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid?
You can request a quote for 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.