ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
TL;DR: ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate (CAS 93185-32-1) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate, ethyl 2-(benzylsulfanyl)-4-hydroxypyrimidine-5-carboxylate, ETHYL 2-BENZYLTHIO-4-HYDROPYRIMIDINE-5-CARBOXYLATE, Ethyl 2-(benzylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate, 2-Benzylmercapto-6-oxo-1,6-dihydro-pyrimidin-5-carbonsaeure-aethylester
| Molecular Formula | C14H14N2O3S |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.0725 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 93185-32-1 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(NC1=O)SCC2=CC=CC=C2 |
| InChIKey | NWHALLRKAZMKEZ-UHFFFAOYSA-N |
Product Overview
ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate (CAS 93185-32-1), with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol. IUPAC: ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
Property Insights of ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-benzylsulfanyl-6-oxo-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 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate?
The CAS number of ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate is 93185-32-1.
What is the molecular formula of ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate?
The molecular formula of ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate is C14H14N2O3S.
What is the molecular weight of ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate?
The molecular weight of ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate is 290.07 g/mol.
Where can I buy ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate?
You can request a quote for ethyl 2-benzylsulfanyl-6-oxo-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 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.