(E)-3-((4-bromo-3-methylphenyl)amino)-1-(3-((2-chloro-6-fluorobenzyl)oxy)phenyl)prop-2-en-1-one CAS 478039-68-8

Purity 97%+In StockPharmaceutical Standards
CAS No.478039-68-8
Molecular FormulaC23H18BrClFNO2
Molecular Weight474.75 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(E)-3-((4-bromo-3-methylphenyl)amino)-1-(3-((2-chloro-6-fluorobenzyl)oxy)phenyl)prop-2-en-1-one CAS 478039-68-8 chemical structure

Description

(E)-3-((4-bromo-3-methylphenyl)amino)-1-(3-((2-chloro-6-fluorobenzyl)oxy)phenyl)prop-2-en-1-one (CAS 478039-68-8) is a high-purity analytical reference standard with the molecular formula C23H18BrClFNO2 and a molecular weight of 474.75 g/mol.

Based on its molecular formula C23H18BrClFNO2, (E)-3-((4-bromo-3-methylphenyl)amino)-1-(3-((2-chloro-6-fluorobenzyl)oxy)phenyl)prop-2-en-1-one contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 474.75 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 FormulaC23H18BrClFNO2
Molecular Weight474.75 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl/Br-containing
Nitrogen Atoms1

Related E Standards

Recommended Standards

Why CATO?