5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
TL;DR: 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid (CAS 621-83-0) is a chemical compound with molecular formula C6H5ClN2O2S and molecular weight 203.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid
Also Known As: 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid, null, zlchem 91, Oleosol Fast Red BL, Oleosol Fast Red GL
| Molecular Formula | C6H5ClN2O2S |
|---|---|
| Molecular Weight | 203.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.97603 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 621-83-0 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)O)Cl |
| InChIKey | SEPCYCDQJZTPHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid (CAS 621-83-0), with molecular formula C6H5ClN2O2S and molecular weight 203.98 g/mol. IUPAC: 5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid.
Chemical Property Profile of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
Property Insights of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 5-Chloro-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 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid?
The CAS number of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid is 621-83-0.
What is the molecular formula of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid?
The molecular formula of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid is C6H5ClN2O2S.
What is the molecular weight of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid?
The molecular weight of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid is 203.98 g/mol.
Where can I buy 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid?
You can request a quote for 5-Chloro-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 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.