2-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate CAS 52749-17-4

Purity 97%+In StockPharmaceutical Standards
CAS No.52749-17-4
Molecular FormulaC25H26N2O2S2
Molecular Weight450.62 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate CAS 52749-17-4 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate.

CATO supplies 2-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate (CAS 52749-17-4), a certified reference material (molecular formula C25H26N2O2S2, MW 450.62 g/mol) for analytical method development and quality control.

Based on its molecular formula C25H26N2O2S2, 2-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 450.62 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

As a certified reference material (CRM), 2-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC25H26N2O2S2
Molecular Weight450.62 g/mol
Purity97%+
StorageStore in a cool place (≤25°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)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1972
Nitrogen Atoms2
Sulfur Atoms2

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