(6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate
TL;DR: (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate (CAS 877648-58-3) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 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 2,2-diphenylacetate
Also Known As: F2527-0117, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2,2-diphenylacetate, (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate, [6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl 2,2-diphenylacetate, [6-methyl-3-(methylthio)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl diphenylacetate
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.00142 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 935.267 |
Chemical Identifiers
| CAS Number | 877648-58-3 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)SC |
Product Overview
(6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate (CAS 877648-58-3), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate.
Chemical Property Profile of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate
Property Insights of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate
The XLogP value of 3.00142 indicates that (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate. Following Lipinski's Rule of Five, (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate 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 (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate?
The CAS number of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate is 877648-58-3.
What is the molecular formula of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate?
The molecular formula of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate is C20H19N3O3S.
What is the molecular weight of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate?
The molecular weight of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate is 381.11 g/mol.
Where can I buy (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate?
You can request a quote for (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate 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-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2,2-diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.