Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate
TL;DR: Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate (CAS 33081-13-9) is a chemical compound with molecular formula C7H8N2O3S and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate, J1.499.964G, methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate, methyl 4-hydroxy-2-methylsulfanylpyrimidine-5-carboxylate, methyl 2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C7H8N2O3S |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | 0.2784 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.02556 |
| Heavy Atoms | 13 |
| Complexity | 374.24554 |
Chemical Identifiers
| CAS Number | 33081-13-9 |
|---|---|
| SMILES | COC(=O)C1=CN=C(NC1=O)SC |
Product Overview
Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate (CAS 33081-13-9), with molecular formula C7H8N2O3S and molecular weight 200.03 g/mol. IUPAC: methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate
Property Insights of Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate
The XLogP value of 0.2784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-2-(methylthio)pyrimidine-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 Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate?
The CAS number of Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate is 33081-13-9.
What is the molecular formula of Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate?
The molecular formula of Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate is C7H8N2O3S.
What is the molecular weight of Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate?
The molecular weight of Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate is 200.03 g/mol.
Where can I buy Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate?
You can request a quote for Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.