![ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate structure](/static/products/5164/51646-43-6.webp)
ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
TL;DR: ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 51646-43-6) is a chemical compound with molecular formula C15H14N4O3S and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, 2-Benzylsulfanyl-7-hydroxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester, Ethyl 2-(benzylthio)-7-hydroxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, Ethyl 2-(benzylsulfanyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, Ethyl 8-benzylsulfanyl-2-oxo-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene-3-carboxylate
| Molecular Formula | C15H14N4O3S |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 1.8866 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.07867 |
| Heavy Atoms | 23 |
| Complexity | 888.6234 |
Chemical Identifiers
| CAS Number | 51646-43-6 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2N=C(NN2C1=O)SCC3=CC=CC=C3 |
Product Overview
ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 51646-43-6), with molecular formula C15H14N4O3S and molecular weight 330.08 g/mol. IUPAC: ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Property Insights of ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
The XLogP value of 1.8866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-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 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The CAS number of ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is 51646-43-6.
What is the molecular formula of ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is C15H14N4O3S.
What is the molecular weight of ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is 330.08 g/mol.
Where can I buy ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl 2-benzylsulfanyl-7-oxo-1H-[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-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-benzylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.