(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate
TL;DR: (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate (CAS 877648-39-0) is a chemical compound with molecular formula C14H15N3O4S and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-phenoxyacetate
Also Known As: F2527-0090, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate, [6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl 2-phenoxyacetate, (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-phenoxyacetate
| Molecular Formula | C14H15N3O4S |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 1.24832 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.07834 |
| Heavy Atoms | 22 |
| Complexity | 702.9793 |
Chemical Identifiers
| CAS Number | 877648-39-0 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)COC(=O)COC2=CC=CC=C2)SC |
Product Overview
(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate (CAS 877648-39-0), with molecular formula C14H15N3O4S and molecular weight 321.08 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-phenoxyacetate.
Chemical Property Profile of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate
Property Insights of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate
The XLogP value of 1.24832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate. Following Lipinski's Rule of Five, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate has 0 hydrogen bond donor(s) and 7 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 (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate?
The CAS number of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate is 877648-39-0.
What is the molecular formula of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate?
The molecular formula of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate is C14H15N3O4S.
What is the molecular weight of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate?
The molecular weight of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate is 321.08 g/mol.
Where can I buy (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate?
You can request a quote for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.