(2Z)-2-(2H-1,3-Benzodioxol-5-yl)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile CAS 956164-49-1

Purity 97%+In StockPharmaceutical Standards
CAS No.956164-49-1
Molecular FormulaC28H21N3O2
Molecular Weight431.49 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2Z)-2-(2H-1,3-Benzodioxol-5-yl)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile CAS 956164-49-1 chemical structure

Description

The occurrence of (2Z)-2-(2H-1,3-Benzodioxol-5-yl)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(2Z)-2-(2H-1,3-Benzodioxol-5-yl)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile (CAS 956164-49-1), molecular formula C28H21N3O2 and molecular weight 431.49 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C28H21N3O2, (2Z)-2-(2H-1,3-Benzodioxol-5-yl)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile contains a steroid core, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 431.49 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.

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 FormulaC28H21N3O2
Molecular Weight431.49 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)20.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms3

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