5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
TL;DR: 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine (CAS 478048-11-2) is a chemical compound with molecular formula C17H12F3N3S and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
Also Known As: 5-(benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine, 5-benzylsulfanyl-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine, 4R-1522
| Molecular Formula | C17H12F3N3S |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 4.8497 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0704 |
| Heavy Atoms | 24 |
| Complexity | 808.3147 |
Chemical Identifiers
| CAS Number | 478048-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(N=NC(=N2)C3=CC=CC=C3)C(F)(F)F |
Product Overview
5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine (CAS 478048-11-2), with molecular formula C17H12F3N3S and molecular weight 347.07 g/mol. IUPAC: 5-benzylsulfanyl-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine.
Chemical Property Profile of 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
Property Insights of 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
The XLogP value of 4.8497 indicates that 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine has 0 hydrogen bond donor(s) and 4 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 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine?
The CAS number of 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine is 478048-11-2.
What is the molecular formula of 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine?
The molecular formula of 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine is C17H12F3N3S.
What is the molecular weight of 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine?
The molecular weight of 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine is 347.07 g/mol.
Where can I buy 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine?
You can request a quote for 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylsulfanyl)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.