2-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-5-((4-fluorobenzyl)thio)-1,3,4-oxadiazole CAS 478077-30-4

Description

The occurrence of 2-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-5-((4-fluorobenzyl)thio)-1,3,4-oxadiazole is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-5-((4-fluorobenzyl)thio)-1,3,4-oxadiazole (CAS 478077-30-4), molecular formula C17H12FN3OS2 and molecular weight 357.43 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-5-((4-fluorobenzyl)thio)-1,3,4-oxadiazole (C17H12FN3OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 357.43 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.

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

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