4-[(2E)-3-(4-Fluorophenyl)prop-2-enoyl]phenyl 4-chlorobenzene-1-sulfonate CAS 331460-90-3

Purity 97%+In StockPharmaceutical Standards
CAS No.331460-90-3
Molecular FormulaC21H14ClFO4S
Molecular Weight416.85 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-[(2E)-3-(4-Fluorophenyl)prop-2-enoyl]phenyl 4-chlorobenzene-1-sulfonate CAS 331460-90-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 416.85 g/mol gives 4-[(2E)-3-(4-Fluorophenyl)prop-2-enoyl]phenyl 4-chlorobenzene-1-sulfonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-[(2E)-3-(4-Fluorophenyl)prop-2-enoyl]phenyl 4-chlorobenzene-1-sulfonate (CAS 331460-90-3) is a high-purity analytical reference standard with the molecular formula C21H14ClFO4S and a molecular weight of 416.85 g/mol.

The molecular framework of 4-[(2E)-3-(4-Fluorophenyl)prop-2-enoyl]phenyl 4-chlorobenzene-1-sulfonate (C21H14ClFO4S) is characterized by a flavonoid core, a sulfone 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC21H14ClFO4S
Molecular Weight416.85 g/mol
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
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-containing
Sulfur Atoms1

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