Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate
TL;DR: Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate (CAS 900002-62-2) is a chemical compound with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylate
Also Known As: SDCCGMLS-0065735.P001, J2.849.502A, F2800-0103, ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate, ethyl 6-methyl-4-(methylsulfanyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylate
| Molecular Formula | C9H12N2O3S |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 0.97692 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.05687 |
| Heavy Atoms | 15 |
| Complexity | 427.8559 |
Chemical Identifiers
| CAS Number | 900002-62-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)N=C1SC)C |
Product Overview
Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate (CAS 900002-62-2), with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol. IUPAC: ethyl 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Property Insights of Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate
The XLogP value of 0.97692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate 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 Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate?
The CAS number of Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate is 900002-62-2.
What is the molecular formula of Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate?
The molecular formula of Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate is C9H12N2O3S.
What is the molecular weight of Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate?
The molecular weight of Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate is 228.06 g/mol.
Where can I buy Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate?
You can request a quote for Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.