Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
TL;DR: Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate (CAS 82636-20-2) is a chemical compound with molecular formula C15H16N2O4S and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
Also Known As: ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5, ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate, Ethyl 1-(4-methoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C15H16N2O4S |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.08307 |
| Heavy Atoms | 22 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 82636-20-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N(C1=O)C2=CC=C(C=C2)OC)SC |
| InChIKey | VJPSWRZNFIKLKS-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate (CAS 82636-20-2), with molecular formula C15H16N2O4S and molecular weight 320.08 g/mol. IUPAC: ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
Property Insights of Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-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 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate?
The CAS number of Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate is 82636-20-2.
What is the molecular formula of Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate?
The molecular formula of Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate is C15H16N2O4S.
What is the molecular weight of Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate?
The molecular weight of Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate is 320.08 g/mol.
Where can I buy Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate?
You can request a quote for Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-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 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.