3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid CAS 478079-06-0

Purity 97%+In StockPharmaceutical Standards
CAS No.478079-06-0
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid CAS 478079-06-0 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.

3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid (CAS 478079-06-0), molecular formula C18H15NO5 and molecular weight 325.32 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid (C18H15NO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 325.32 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.

Physical & Chemical Properties

Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms1

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