5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester
TL;DR: 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester (CAS 5518-76-3) 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 2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: 3-Indolebutyricacid, Ethyl 2-(ethylthio)-4-hydroxypyrimidine-5-carboxylate, ethyl 2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate, SDCCGSBI-0660406.P001, 5-Carbethoxy-2-ethylmercapto-4-hydroxypyrimidine
| Molecular Formula | C9H12N2O3S |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05687 |
| Heavy Atoms | 15 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 5518-76-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(NC1=O)SCC |
| InChIKey | OVUWQJVYJRQMSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester (CAS 5518-76-3), with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol. IUPAC: ethyl 2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester
Property Insights of 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester. Following Lipinski's Rule of Five, 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester 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 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester?
The CAS number of 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester is 5518-76-3.
What is the molecular formula of 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester?
The molecular formula of 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester is C9H12N2O3S.
What is the molecular weight of 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester?
The molecular weight of 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester is 228.06 g/mol.
Where can I buy 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester?
You can request a quote for 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.