Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate
TL;DR: Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS 52793-50-7) is a chemical compound with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate, AP-782/41885522, methyl 2-methyl-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate, methyl 4-hydroxy-2-methyl-6-methylthiopyrimidine-5-carboxylate, Methyl 4-hydroxy-2-methyl-6-(methylthio)pyrimidine-5-carboxylate
| Molecular Formula | C8H10N2O3S |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 0.58682 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.04121 |
| Heavy Atoms | 14 |
| Complexity | 413.5377 |
Chemical Identifiers
| CAS Number | 52793-50-7 |
|---|---|
| SMILES | CC1=NC(=C(C(=O)N1)C(=O)OC)SC |
Product Overview
Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS 52793-50-7), with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol. IUPAC: methyl 2-methyl-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate
Property Insights of Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate
The XLogP value of 0.58682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate 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-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate?
The CAS number of Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate is 52793-50-7.
What is the molecular formula of Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate?
The molecular formula of Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate is C8H10N2O3S.
What is the molecular weight of Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate?
The molecular weight of Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate is 214.04 g/mol.
Where can I buy Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate?
You can request a quote for Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate 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-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-2-methyl-6-(methylsulfanyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.