4-[(1E)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]phenyl 4-chlorobenzene-1-sulfonate CAS 331460-92-5

Purity 97%+In StockPharmaceutical Standards
CAS No.331460-92-5
Molecular FormulaC22H17ClO4S
Molecular Weight412.89 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-[(1E)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]phenyl 4-chlorobenzene-1-sulfonate CAS 331460-92-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 412.89 g/mol gives 4-[(1E)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]phenyl 4-chlorobenzene-1-sulfonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-[(1E)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]phenyl 4-chlorobenzene-1-sulfonate (CAS 331460-92-5), molecular formula C22H17ClO4S and molecular weight 412.89 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-[(1E)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]phenyl 4-chlorobenzene-1-sulfonate (C22H17ClO4S) contains a flavonoid core, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 412.89 g/mol, it falls into the moderately-high-molecular-weight range. 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).

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 manufactures 4-[(1E)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]phenyl 4-chlorobenzene-1-sulfonate 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 FormulaC22H17ClO4S
Molecular Weight412.89 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 ContentCl-containing
Sulfur Atoms1

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