1-Methyl-3-{4-methyl-5-[(2E)-3-[(4-methylphenyl)amino]prop-2-enoyl]-1,3-thiazol-2-yl}pyridin-1-ium iodide CAS 477713-87-4

Purity 97%+In StockPharmaceutical Standards
CAS No.477713-87-4
Molecular FormulaC20H20N3OS
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Methyl-3-{4-methyl-5-[(2E)-3-[(4-methylphenyl)amino]prop-2-enoyl]-1,3-thiazol-2-yl}pyridin-1-ium iodide CAS 477713-87-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 477.36 g/mol gives 1-Methyl-3-{4-methyl-5-[(2E)-3-[(4-methylphenyl)amino]prop-2-enoyl]-1,3-thiazol-2-yl}pyridin-1-ium iodide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-Methyl-3-{4-methyl-5-[(2E)-3-[(4-methylphenyl)amino]prop-2-enoyl]-1,3-thiazol-2-yl}pyridin-1-ium iodide (CAS 477713-87-4), molecular formula C20H20N3OSI and molecular weight 477.36 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 1-Methyl-3-{4-methyl-5-[(2E)-3-[(4-methylphenyl)amino]prop-2-enoyl]-1,3-thiazol-2-yl}pyridin-1-ium iodide (C20H20N3OSI) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, iodine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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

Molecular FormulaC20H20N3OS I
Molecular Weight477.36 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentI-containing
Nitrogen Atoms3
Sulfur Atoms1

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