4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester
TL;DR: 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester (CAS 5909-24-0) is a chemical compound with molecular formula C8H9ClN2O2S and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-chloro-2-(methylthio)pyrimidine-5-carboxylate, Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate, zlchem 523, ethyl 4-chloro-MPC, Ethyl 4-chloro-2-methylthiopyrimidine-5-carboxylate
| Molecular Formula | C8H9ClN2O2S |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.00732 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 5909-24-0 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1Cl)SC |
| InChIKey | SNNHLSHDDGJVDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester (CAS 5909-24-0), with molecular formula C8H9ClN2O2S and molecular weight 232.01 g/mol. IUPAC: ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester
Property Insights of 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester has 0 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 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester?
The CAS number of 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester is 5909-24-0.
What is the molecular formula of 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester?
The molecular formula of 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester is C8H9ClN2O2S.
What is the molecular weight of 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester?
The molecular weight of 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester is 232.01 g/mol.
Where can I buy 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester?
You can request a quote for 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.