Ethyl 6-bromo-5-hydroxy-1-methyl-2-((((p-tolylthio)methyl)amino)methyl)-1H-indole-3-carboxylate CAS 1704066-64-7

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.

Ethyl 6-bromo-5-hydroxy-1-methyl-2-((((p-tolylthio)methyl)amino)methyl)-1H-indole-3-carboxylate (CAS 1704066-64-7), molecular formula C21H23BrN2O3S and molecular weight 463.39 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Ethyl 6-bromo-5-hydroxy-1-methyl-2-((((p-tolylthio)methyl)amino)methyl)-1H-indole-3-carboxylate (C21H23BrN2O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 463.39 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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

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