Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate
TL;DR: Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate (CAS 31164-08-6) is a chemical compound with molecular formula C7H7ClN2O4S and molecular weight 249.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-2-methylsulfonylpyrimidine-4-carboxylate
Also Known As: methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate, methyl 6-chloro-2-methylsulfonylpyrimidine-4-carboxylate, METHYL 6-CHLORO-2-METHANESULFONYLPYRIMIDINE-4-CARBOXYLATE, methyl 6-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate, 4-Pyrimidinecarboxylic acid, 6-chloro-2-(methylsulfonyl)-, methyl ester
| Molecular Formula | C7H7ClN2O4S |
|---|---|
| Molecular Weight | 249.98 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.9815 |
| Heavy Atoms | 15 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 31164-08-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=NC(=N1)S(=O)(=O)C)Cl |
| InChIKey | FSQBCNBFHWRUGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate (CAS 31164-08-6), with molecular formula C7H7ClN2O4S and molecular weight 249.98 g/mol. IUPAC: methyl 6-chloro-2-methylsulfonylpyrimidine-4-carboxylate.
Chemical Property Profile of Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate
Property Insights of Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate has 0 hydrogen bond donor(s) and 6 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 Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate?
The CAS number of Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate is 31164-08-6.
What is the molecular formula of Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate?
The molecular formula of Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate is C7H7ClN2O4S.
What is the molecular weight of Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate?
The molecular weight of Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate is 249.98 g/mol.
Where can I buy Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate?
You can request a quote for Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.