(1E)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(dimethylamino)pent-1-en-3-one CAS 338397-45-8

Purity 97%+In StockPharmaceutical Standards
CAS No.338397-45-8
Molecular FormulaC13H14ClF3N2OS
Molecular Weight338.78 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(1E)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(dimethylamino)pent-1-en-3-one CAS 338397-45-8 chemical structure

Description

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.

CATO supplies (1E)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(dimethylamino)pent-1-en-3-one (CAS 338397-45-8), a certified reference material (molecular formula C13H14ClF3N2OS, MW 338.78 g/mol) for analytical method development and quality control.

Based on its molecular formula C13H14ClF3N2OS, (1E)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(dimethylamino)pent-1-en-3-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 338.78 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.

Physical & Chemical Properties

Molecular FormulaC13H14ClF3N2OS
Molecular Weight338.78 g/mol
Purity97%+
StorageStore at 2-8°C, 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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms1

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