Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate
TL;DR: Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate (CAS 325723-07-7) is a chemical compound with molecular formula C8H9ClN2O4S and molecular weight 264.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate
Also Known As: starbld0004886, ethyl 5-chloro-2-methanesulfonylpyrimidine-4-carboxylate, ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate, Ethyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate, 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid ethyl ester
| Molecular Formula | C8H9ClN2O4S |
|---|---|
| Molecular Weight | 264.00 g/mol |
| LogP | 0.7102 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.99716 |
| Heavy Atoms | 16 |
| Complexity | 514.76965 |
Chemical Identifiers
| CAS Number | 325723-07-7 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=NC=C1Cl)S(=O)(=O)C |
Product Overview
Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate (CAS 325723-07-7), with molecular formula C8H9ClN2O4S and molecular weight 264.00 g/mol. IUPAC: ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate.
Chemical Property Profile of Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate
Property Insights of Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate
The XLogP value of 0.7102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-chloro-2-methylsulfonylpyrimidine-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 Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate?
The CAS number of Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate is 325723-07-7.
What is the molecular formula of Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate?
The molecular formula of Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate is C8H9ClN2O4S.
What is the molecular weight of Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate?
The molecular weight of Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate is 264.00 g/mol.
Where can I buy Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate?
You can request a quote for Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.