4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide
TL;DR: 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide (CAS 478048-12-3) is a chemical compound with molecular formula C18H14F3N3S and molecular weight 361.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
Also Known As: Bionet1_004242, 4-methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide, 4R-1523, 5-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine, 5-{[(4-methylphenyl)methyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
| Molecular Formula | C18H14F3N3S |
|---|---|
| Molecular Weight | 361.09 g/mol |
| LogP | 5.15812 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.08606 |
| Heavy Atoms | 25 |
| Complexity | 849.6903 |
Chemical Identifiers
| CAS Number | 478048-12-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=C(N=NC(=N2)C3=CC=CC=C3)C(F)(F)F |
Product Overview
4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide (CAS 478048-12-3), with molecular formula C18H14F3N3S and molecular weight 361.09 g/mol. IUPAC: 5-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine.
Chemical Property Profile of 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide
Property Insights of 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide
The XLogP value of 5.15812 indicates that 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide?
The CAS number of 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide is 478048-12-3.
What is the molecular formula of 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide?
The molecular formula of 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide is C18H14F3N3S.
What is the molecular weight of 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide?
The molecular weight of 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide is 361.09 g/mol.
Where can I buy 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide?
You can request a quote for 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.