2-((9-(2-Phenoxyethyl)-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)acetic acid CAS 676630-78-7

Purity 97%+In StockPharmaceutical Standards
CAS No.676630-78-7
Molecular FormulaC18H16N4O3S
Molecular Weight368.41 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((9-(2-Phenoxyethyl)-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)acetic acid CAS 676630-78-7 chemical structure

Description

The occurrence of 2-((9-(2-Phenoxyethyl)-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)acetic acid is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-((9-(2-Phenoxyethyl)-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)acetic acid (CAS 676630-78-7), a certified reference material (molecular formula C18H16N4O3S, MW 368.41 g/mol) for analytical method development and quality control.

Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 2-((9-(2-Phenoxyethyl)-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)acetic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 368.41 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC18H16N4O3S
Molecular Weight368.41 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Nitrogen Atoms4
Sulfur Atoms1

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