4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one
TL;DR: 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one (CAS 869068-01-9) is a chemical compound with molecular formula C12H11F3N4OS and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-methyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazin-5-one
Also Known As: AB00676405-01, F1847-0090, 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one, 4-amino-6-methyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazin-5-one, 4-amino-6-methyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1,2,4-triazin-5-one
| Molecular Formula | C12H11F3N4OS |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 1.97162 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.06058 |
| Heavy Atoms | 21 |
| Complexity | 714.3792 |
Chemical Identifiers
| CAS Number | 869068-01-9 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)N)SCC2=CC(=CC=C2)C(F)(F)F |
Product Overview
4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one (CAS 869068-01-9), with molecular formula C12H11F3N4OS and molecular weight 316.06 g/mol. IUPAC: 4-amino-6-methyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazin-5-one.
Chemical Property Profile of 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one
Property Insights of 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one
The XLogP value of 1.97162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one. Following Lipinski's Rule of Five, 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one has 1 hydrogen bond donor(s) and 5 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 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one?
The CAS number of 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one is 869068-01-9.
What is the molecular formula of 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one?
The molecular formula of 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one is C12H11F3N4OS.
What is the molecular weight of 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one?
The molecular weight of 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one is 316.06 g/mol.
Where can I buy 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one?
You can request a quote for 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.