(4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-1-[(2-methylphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-5-one CAS 860651-13-4

Purity 97%+In StockPharmaceutical Standards
CAS No.860651-13-4
Molecular FormulaC27H21F3N2O3S
Molecular Weight510.53 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-1-[(2-methylphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-5-one CAS 860651-13-4 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 (4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-1-[(2-methylphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-5-one.

CATO supplies (4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-1-[(2-methylphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-5-one (CAS 860651-13-4), a certified reference material (molecular formula C27H21F3N2O3S, MW 510.53 g/mol) for analytical method development and quality control.

(4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-1-[(2-methylphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-5-one (C27H21F3N2O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

CATO manufactures (4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-1-[(2-methylphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-5-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC27H21F3N2O3S
Molecular Weight510.53 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)17.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

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