2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-bromo-4-methylphenyl)acetamide CAS 587013-88-5

Purity 97%+In StockPharmaceutical Standards
CAS No.587013-88-5
Molecular FormulaC18H17BrN4OS2
Molecular Weight449.39 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-bromo-4-methylphenyl)acetamide CAS 587013-88-5 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.

2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-bromo-4-methylphenyl)acetamide (CAS 587013-88-5) is a high-purity analytical reference standard with the molecular formula C18H17BrN4OS2 and a molecular weight of 449.39 g/mol.

Based on its molecular formula C18H17BrN4OS2, 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-bromo-4-methylphenyl)acetamide contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 449.39 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC18H17BrN4OS2
Molecular Weight449.39 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentBr-containing
Nitrogen Atoms4
Sulfur Atoms2

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