2-((4-Allyl-5-(((3,4-dichlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide CAS 540498-20-2

Purity 97%+In StockPharmaceutical Standards
CAS No.540498-20-2
Molecular FormulaC23H25Cl2N5OS
Molecular Weight490.45 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((4-Allyl-5-(((3,4-dichlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide CAS 540498-20-2 chemical structure

Description

The occurrence of 2-((4-Allyl-5-(((3,4-dichlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-((4-Allyl-5-(((3,4-dichlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide (CAS 540498-20-2) is a high-purity analytical reference standard with the molecular formula C23H25Cl2N5OS and a molecular weight of 490.45 g/mol.

Based on its molecular formula C23H25Cl2N5OS, 2-((4-Allyl-5-(((3,4-dichlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 490.45 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.

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 FormulaC23H25Cl2N5OS
Molecular Weight490.45 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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentCl-containing
Nitrogen Atoms5
Sulfur Atoms1

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