(E)-5-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-2-((2-chloro-6-fluorobenzyl)thio)-3,5-dihydro-4H-imidazol-4-one CAS 860648-84-6

Purity 97%+In StockPharmaceutical Standards
CAS No.860648-84-6
Molecular FormulaC19H13ClFN5OS
Molecular Weight413.86 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(E)-5-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-2-((2-chloro-6-fluorobenzyl)thio)-3,5-dihydro-4H-imidazol-4-one CAS 860648-84-6 chemical structure

Description

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 supplies (E)-5-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-2-((2-chloro-6-fluorobenzyl)thio)-3,5-dihydro-4H-imidazol-4-one (CAS 860648-84-6), a certified reference material (molecular formula C19H13ClFN5OS, MW 413.86 g/mol) for analytical method development and quality control.

Structurally, (E)-5-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-2-((2-chloro-6-fluorobenzyl)thio)-3,5-dihydro-4H-imidazol-4-one (C19H13ClFN5OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 413.86 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

CATO manufactures (E)-5-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-2-((2-chloro-6-fluorobenzyl)thio)-3,5-dihydro-4H-imidazol-4-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 FormulaC19H13ClFN5OS
Molecular Weight413.86 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)15.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl-containing
Nitrogen Atoms5
Sulfur Atoms1

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