(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate
TL;DR: (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate (CAS 877642-60-9) is a chemical compound with molecular formula C13H13N3O3S and molecular weight 291.07 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 benzoate
Also Known As: (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate, F2527-0031, (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl benzoate, [6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl benzoate
| Molecular Formula | C13H13N3O3S |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 1.48312 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.06775 |
| Heavy Atoms | 20 |
| Complexity | 670.30676 |
Chemical Identifiers
| CAS Number | 877642-60-9 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)COC(=O)C2=CC=CC=C2)SC |
Product Overview
(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate (CAS 877642-60-9), with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl benzoate.
Chemical Property Profile of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate
Property Insights of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate
The XLogP value of 1.48312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate. The TPSA of 74.08 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 benzoate. Following Lipinski's Rule of Five, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate 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-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate?
The CAS number of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate is 877642-60-9.
What is the molecular formula of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate?
The molecular formula of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate is C13H13N3O3S.
What is the molecular weight of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate?
The molecular weight of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate is 291.07 g/mol.
Where can I buy (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate?
You can request a quote for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate 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 benzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.