4-Ethyl-3-((3-methoxybenzyl)thio)-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole CAS 957014-60-7

Purity 97%+In StockPharmaceutical Standards
CAS No.957014-60-7
Molecular FormulaC22H20F3N5OS
Molecular Weight459.49 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Ethyl-3-((3-methoxybenzyl)thio)-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole CAS 957014-60-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 459.49 g/mol gives 4-Ethyl-3-((3-methoxybenzyl)thio)-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-Ethyl-3-((3-methoxybenzyl)thio)-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole (CAS 957014-60-7), molecular formula C22H20F3N5OS and molecular weight 459.49 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, 4-Ethyl-3-((3-methoxybenzyl)thio)-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 459.49 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

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.

Physical & Chemical Properties

Molecular FormulaC22H20F3N5OS
Molecular Weight459.49 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)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms5
Sulfur Atoms1

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