![methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate structure](/static/products/6823/682333-47-7.webp)
methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
TL;DR: methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate (CAS 682333-47-7) is a chemical compound with molecular formula C9H10N4O3S and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Also Known As: methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate, methyl 2-(2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate, methyl 2-[7-hydroxy-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate, Methyl 2-(2-(methylthio)-7-oxo-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate, methyl [2-(methylthio)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-{a}]pyrimidin-5-yl]acetate
| Molecular Formula | C9H10N4O3S |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | -0.145 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.04736 |
| Heavy Atoms | 17 |
| Complexity | 618.21875 |
Chemical Identifiers
| CAS Number | 682333-47-7 |
|---|---|
| SMILES | COC(=O)CC1=CC(=O)N2C(=N1)N=C(N2)SC |
Product Overview
methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate (CAS 682333-47-7), with molecular formula C9H10N4O3S and molecular weight 254.05 g/mol. IUPAC: methyl 2-(2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate.
Chemical Property Profile of methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Property Insights of methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
The XLogP value of -0.145 indicates that methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate. Following Lipinski's Rule of Five, methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate 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 methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate?
The CAS number of methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate is 682333-47-7.
What is the molecular formula of methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate?
The molecular formula of methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate is C9H10N4O3S.
What is the molecular weight of methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate?
The molecular weight of methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate is 254.05 g/mol.
Where can I buy methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate?
You can request a quote for methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.