(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate
TL;DR: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate (CAS 877648-55-0) is a chemical compound with molecular formula C14H14FN3O4S and molecular weight 339.07 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 2-(4-fluorophenoxy)acetate
Also Known As: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate, F2527-0105, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-(4-fluorophenoxy)acetate, [6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl 2-(4-fluorophenoxy)acetate, [6-Methyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]methyl (4-fluorophenoxy)acetate
| Molecular Formula | C14H14FN3O4S |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 1.38742 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.0689 |
| Heavy Atoms | 23 |
| Complexity | 748.67786 |
Chemical Identifiers
| CAS Number | 877648-55-0 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)COC(=O)COC2=CC=C(C=C2)F)SC |
Product Overview
(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate (CAS 877648-55-0), with molecular formula C14H14FN3O4S and molecular weight 339.07 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate.
Chemical Property Profile of (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate
Property Insights of (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate
The XLogP value of 1.38742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate. The TPSA of 83.31 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-(4-fluorophenoxy)acetate. Following Lipinski's Rule of Five, (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate 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-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate?
The CAS number of (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate is 877648-55-0.
What is the molecular formula of (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate?
The molecular formula of (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate is C14H14FN3O4S.
What is the molecular weight of (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate?
The molecular weight of (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate is 339.07 g/mol.
Where can I buy (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate?
You can request a quote for (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate 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-(4-fluorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-(4-fluorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.