ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate
TL;DR: ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate (CAS 900002-41-7) is a chemical compound with molecular formula C14H15N3O3S and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate
Also Known As: F2800-0085, ethyl 6-methyl-2-oxo-4-((pyridin-2-ylmethyl)thio)-1,2-dihydropyrimidine-5-carboxylate, ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate, ethyl 6-methyl-2-oxo-4-[(2-pyridyl)methylthio]-1,2-dihydro-5-pyrimidinecarboxylate, ethyl 6-methyl-2-oxo-4-{[(pyridin-2-yl)methyl]sulfanyl}-1,2-dihydropyrimidine-5-carboxylate
| Molecular Formula | C14H15N3O3S |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 1.94232 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0834 |
| Heavy Atoms | 21 |
| Complexity | 685.60876 |
Chemical Identifiers
| CAS Number | 900002-41-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)N=C1SCC2=CC=CC=N2)C |
Product Overview
ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate (CAS 900002-41-7), with molecular formula C14H15N3O3S and molecular weight 305.08 g/mol. IUPAC: ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate
Property Insights of ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate
The XLogP value of 1.94232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate has 1 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 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate?
The CAS number of ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate is 900002-41-7.
What is the molecular formula of ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate?
The molecular formula of ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate is C14H15N3O3S.
What is the molecular weight of ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate?
The molecular weight of ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate is 305.08 g/mol.
Where can I buy ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate?
You can request a quote for ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-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 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-methyl-2-oxo-4-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.