s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-
TL;DR: s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- (CAS 69095-77-8) is a chemical compound with molecular formula C16H12F3N3 and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
Also Known As: s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-, 3-(o-Tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-s-triazole, 1H-1,2,4-Triazole, 3-(2-methylphenyl)-5-(3-(trifluoromethyl)phenyl)-, 5-(2-Methylphenyl)-3-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole, 5-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
| Molecular Formula | C16H12F3N3 |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.09833 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 69095-77-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)C(F)(F)F |
| InChIKey | DYGMEXLJCFIJME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- (CAS 69095-77-8), with molecular formula C16H12F3N3 and molecular weight 303.10 g/mol. IUPAC: 5-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole.
Chemical Property Profile of s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-
Property Insights of s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-
The XLogP value of 4.6 indicates that s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- 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 s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
The CAS number of s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- is 69095-77-8.
What is the molecular formula of s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
The molecular formula of s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- is C16H12F3N3.
What is the molecular weight of s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
The molecular weight of s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- is 303.10 g/mol.
Where can I buy s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
You can request a quote for s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.