2-[(4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-5-oxo-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-1-yl]acetonitrile CAS 860651-17-8

Purity 97%+In StockPharmaceutical Standards
CAS No.860651-17-8
Molecular FormulaC21H14F3N3O3S
Molecular Weight445.41 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-[(4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-5-oxo-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-1-yl]acetonitrile CAS 860651-17-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 445.41 g/mol gives 2-[(4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-5-oxo-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-1-yl]acetonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 2-[(4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-5-oxo-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-1-yl]acetonitrile (CAS 860651-17-8), a certified reference material (molecular formula C21H14F3N3O3S, MW 445.41 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, fluorine substitution, 2-[(4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-5-oxo-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-1-yl]acetonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 445.41 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 2-[(4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-5-oxo-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-1-yl]acetonitrile 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 FormulaC21H14F3N3O3S
Molecular Weight445.41 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)15.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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