(2E)-3-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-chloro-4-methylquinolin-3-yl)prop-2-en-1-one CAS 400074-47-7

Purity 97%+In StockPharmaceutical Standards
CAS No.400074-47-7
Molecular FormulaC18H12Cl2F3N3O
Molecular Weight414.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2E)-3-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-chloro-4-methylquinolin-3-yl)prop-2-en-1-one CAS 400074-47-7 chemical structure

Description

CATO manufactures (2E)-3-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-chloro-4-methylquinolin-3-yl)prop-2-en-1-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.

(2E)-3-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-chloro-4-methylquinolin-3-yl)prop-2-en-1-one (CAS 400074-47-7), molecular formula C18H12Cl2F3N3O and molecular weight 414.21 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of (2E)-3-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-chloro-4-methylquinolin-3-yl)prop-2-en-1-one (C18H12Cl2F3N3O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. 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.

Physical & Chemical Properties

Molecular FormulaC18H12Cl2F3N3O
Molecular Weight414.21 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 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 ContentF/Cl-containing
Nitrogen Atoms3

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