1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-((5-((2,4-dichlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)piperazine CAS 338979-17-2

Purity 97%+In StockPharmaceutical Standards
CAS No.338979-17-2
Molecular FormulaC26H22Cl3F3N6S
Molecular Weight613.91 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-((5-((2,4-dichlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)piperazine CAS 338979-17-2 chemical structure

Description

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

CATO supplies 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-((5-((2,4-dichlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)piperazine (CAS 338979-17-2), a certified reference material (molecular formula C26H22Cl3F3N6S, MW 613.91 g/mol) for analytical method development and quality control.

Structurally, 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-((5-((2,4-dichlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)piperazine (C26H22Cl3F3N6S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 613.91 g/mol, it falls into the high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

Physical & Chemical Properties

Molecular FormulaC26H22Cl3F3N6S
Molecular Weight613.91 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms6
Sulfur Atoms1

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