5-[1-[4-(2-Chloroethoxy)phenyl]-2-phenyl-1-buten-1-yl]-1,3-benzodioxole (E/Z Mixture) CAS 259149-68-3

Purity 97%+In StockPharmaceutical Standards
CAS No.259149-68-3
Molecular FormulaC25H23ClO3
Molecular Weight406.90 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-[1-[4-(2-Chloroethoxy)phenyl]-2-phenyl-1-buten-1-yl]-1,3-benzodioxole (E/Z Mixture) CAS 259149-68-3 chemical structure

Description

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

5-[1-[4-(2-Chloroethoxy)phenyl]-2-phenyl-1-buten-1-yl]-1,3-benzodioxole (E/Z Mixture) (CAS 259149-68-3), molecular formula C25H23ClO3 and molecular weight 406.90 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 5-[1-[4-(2-Chloroethoxy)phenyl]-2-phenyl-1-buten-1-yl]-1,3-benzodioxole (E/Z Mixture) (C25H23ClO3) is characterized by a steroid core, a hydroxyl group, an ether linkage, 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC25H23ClO3
Molecular Weight406.90 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
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

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