Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS 60090-47-3) 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.
ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate, Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate, Avanafil Impurity 84, Avanafil Impurity 85, NCIOpen2_007256
| Molecular Formula | C8H10N2O3S |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.04121 |
| Heavy Atoms | 14 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 60090-47-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(NC1=O)SC |
| InChIKey | HDIWKNXVBQPJCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS 60090-47-3), with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol. IUPAC: ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-2-(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 Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate is 60090-47-3.
What is the molecular formula of Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate is C8H10N2O3S.
What is the molecular weight of Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate is 214.04 g/mol.
Where can I buy Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-hydroxy-2-(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 Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.