2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide CAS 586997-12-8

Purity 97%+In StockPharmaceutical Standards
CAS No.586997-12-8
Molecular FormulaC18H18FN5OS
Molecular Weight371.43 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide CAS 586997-12-8 chemical structure

Description

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.

2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide (CAS 586997-12-8), molecular formula C18H18FN5OS and molecular weight 371.43 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C18H18FN5OS, 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 371.43 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC18H18FN5OS
Molecular Weight371.43 g/mol
Purity97%+
StorageStore at 2-8°C, 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentF-containing
Nitrogen Atoms5
Sulfur Atoms1

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