ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
TL;DR: ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate (CAS 7506-94-7) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate, Ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 0.72899 |
| Topological Polar Surface Area | 73.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 505.76276 |
Chemical Identifiers
| CAS Number | 7506-94-7 |
|---|---|
| SMILES | CCOC(=O)C1=CNC(=S)N(C1=O)CCOC |
Product Overview
ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate (CAS 7506-94-7), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
Property Insights of ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
The XLogP value of 0.72899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate. The TPSA of 73.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-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 ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate?
The CAS number of ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate is 7506-94-7.
What is the molecular formula of ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate?
The molecular formula of ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate is C10H14N2O4S.
What is the molecular weight of ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate?
The molecular weight of ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate is 258.07 g/mol.
Where can I buy ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate?
You can request a quote for ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-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 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.