Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate
TL;DR: Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate (CAS 84923-27-3) is a chemical compound with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-ethoxy-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate, ethyl 4-ethoxy-2-methylsulfanylpyrimidine-5-carboxylate, 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin, Ethyl 4-ethoxy-2-(methylthio)-pyrimidine-5-carboxylate, Ethyl4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate
| Molecular Formula | C10H14N2O3S |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.07251 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 84923-27-3 |
|---|---|
| SMILES | CCOC1=NC(=NC=C1C(=O)OCC)SC |
| InChIKey | IHMAYUOBJHWPJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate (CAS 84923-27-3), with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol. IUPAC: ethyl 4-ethoxy-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate
Property Insights of Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate has 0 hydrogen bond donor(s) and 6 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-ethoxy-2-(methylthio)pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate is 84923-27-3.
What is the molecular formula of Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate is C10H14N2O3S.
What is the molecular weight of Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate is 242.07 g/mol.
Where can I buy Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-ethoxy-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 Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.