![Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate structure](/static/products/878/878413-55-9.png)
Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
TL;DR: Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 878413-55-9) is a chemical compound with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: BAS 12814369, ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 2-(benzylthio)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, 2-Benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 2.90172 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 832.71747 |
Chemical Identifiers
| CAS Number | 878413-55-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN2C(=NC(=N2)SCC3=CC=CC=C3)N=C1C |
Product Overview
Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 878413-55-9), with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol. IUPAC: ethyl 2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Property Insights of Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
The XLogP value of 2.90172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-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 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The CAS number of Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is 878413-55-9.
What is the molecular formula of Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular formula of Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is C16H16N4O2S.
What is the molecular weight of Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular weight of Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is 328.10 g/mol.
Where can I buy Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
You can request a quote for Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-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)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.