(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate
TL;DR: (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate (CAS 877642-78-9) is a chemical compound with molecular formula C13H12FN3O3S and molecular weight 309.06 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 4-fluorobenzoate
Also Known As: (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate, (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-fluorobenzoate, F2527-0055, [6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl 4-fluorobenzoate
| Molecular Formula | C13H12FN3O3S |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 1.62222 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.05835 |
| Heavy Atoms | 21 |
| Complexity | 715.5917 |
Chemical Identifiers
| CAS Number | 877642-78-9 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)F)SC |
Product Overview
(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate (CAS 877642-78-9), with molecular formula C13H12FN3O3S and molecular weight 309.06 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-fluorobenzoate.
Chemical Property Profile of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate
Property Insights of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate
The XLogP value of 1.62222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate. 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 4-fluorobenzoate. Following Lipinski's Rule of Five, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate 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 4-fluorobenzoate?
The CAS number of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate is 877642-78-9.
What is the molecular formula of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate?
The molecular formula of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate is C13H12FN3O3S.
What is the molecular weight of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate?
The molecular weight of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate is 309.06 g/mol.
Where can I buy (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate?
You can request a quote for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate 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 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.