4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
TL;DR: 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid (CAS 98276-75-6) is a chemical compound with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid
Also Known As: 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid, 4-methyl-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid, 5-Pyrimidinecarboxylicacid, 4-methyl-2-(methylthio)-, 4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid, 4-Methyl-2-(methylthio)-5-pyrimidinecarboxylic Acid
| Molecular Formula | C7H8N2O2S |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 1.20512 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.03065 |
| Heavy Atoms | 12 |
| Complexity | 314.27472 |
Chemical Identifiers
| CAS Number | 98276-75-6 |
|---|---|
| SMILES | CC1=NC(=NC=C1C(=O)O)SC |
Product Overview
4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid (CAS 98276-75-6), with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol. IUPAC: 4-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid.
Chemical Property Profile of 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
Property Insights of 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
The XLogP value of 1.20512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid. Following Lipinski's Rule of Five, 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid has 1 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 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid?
The CAS number of 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid is 98276-75-6.
What is the molecular formula of 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid?
The molecular formula of 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid is C7H8N2O2S.
What is the molecular weight of 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid?
The molecular weight of 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid is 184.03 g/mol.
Where can I buy 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid?
You can request a quote for 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.