2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate
TL;DR: 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate (CAS 838886-75-2) is a chemical compound with molecular formula C14H13ClN2O4S and molecular weight 340.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethylphenyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate
Also Known As: 2,3-dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate, (2,3-dimethylphenyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate, 2,3-DIMETHYLPHENYL 5-CHLORO-2-METHANESULFONYLPYRIMIDINE-4-CARBOXYLATE
| Molecular Formula | C14H13ClN2O4S |
|---|---|
| Molecular Weight | 340.03 g/mol |
| LogP | 2.36954 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.02844 |
| Heavy Atoms | 22 |
| Complexity | 849.9165 |
Chemical Identifiers
| CAS Number | 838886-75-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C)C |
Product Overview
2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate (CAS 838886-75-2), with molecular formula C14H13ClN2O4S and molecular weight 340.03 g/mol. IUPAC: (2,3-dimethylphenyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate.
Chemical Property Profile of 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate
Property Insights of 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate
The XLogP value of 2.36954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate. Following Lipinski's Rule of Five, 2,3-Dimethylphenyl 5-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 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate?
The CAS number of 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate is 838886-75-2.
What is the molecular formula of 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate?
The molecular formula of 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate is C14H13ClN2O4S.
What is the molecular weight of 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate?
The molecular weight of 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate is 340.03 g/mol.
Where can I buy 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate?
You can request a quote for 2,3-Dimethylphenyl 5-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 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.