3-Methyl-2-((E)-3-((E)-1-(3-(trimethylammonio)propyl)quinolin-4(1H)-ylidene)prop-1-en-1-yl)benzo[d]thiazol-3-ium iodide CAS 157199-63-8

Purity 97%+In StockPharmaceutical Standards
CAS No.157199-63-8
Molecular FormulaC26H31N3S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Methyl-2-((E)-3-((E)-1-(3-(trimethylammonio)propyl)quinolin-4(1H)-ylidene)prop-1-en-1-yl)benzo[d]thiazol-3-ium iodide CAS 157199-63-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 544.51 g/mol gives 3-Methyl-2-((E)-3-((E)-1-(3-(trimethylammonio)propyl)quinolin-4(1H)-ylidene)prop-1-en-1-yl)benzo[d]thiazol-3-ium iodide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Methyl-2-((E)-3-((E)-1-(3-(trimethylammonio)propyl)quinolin-4(1H)-ylidene)prop-1-en-1-yl)benzo[d]thiazol-3-ium iodide (CAS 157199-63-8) is a high-purity analytical reference standard with the molecular formula C26H31N3SI and a molecular weight of 544.51 g/mol.

Based on its molecular formula C26H31N3SI, 3-Methyl-2-((E)-3-((E)-1-(3-(trimethylammonio)propyl)quinolin-4(1H)-ylidene)prop-1-en-1-yl)benzo[d]thiazol-3-ium iodide contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 544.51 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.

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 FormulaC26H31N3S 2*I
Molecular Weight544.51 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)12.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2001
Halogen ContentI-containing
Nitrogen Atoms3
Sulfur Atoms1

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