2-(1,3-Dioxo-octahydro-1h-isoindol-2-yl)-4-(methylsulfanyl)butanoic acid CAS 1008946-61-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1008946-61-9
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(1,3-Dioxo-octahydro-1h-isoindol-2-yl)-4-(methylsulfanyl)butanoic acid CAS 1008946-61-9 chemical structure

Description

The occurrence of 2-(1,3-Dioxo-octahydro-1h-isoindol-2-yl)-4-(methylsulfanyl)butanoic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(1,3-Dioxo-octahydro-1h-isoindol-2-yl)-4-(methylsulfanyl)butanoic acid (CAS 1008946-61-9), molecular formula C13H19NO4S and molecular weight 285.36 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-(1,3-Dioxo-octahydro-1h-isoindol-2-yl)-4-(methylsulfanyl)butanoic acid (C13H19NO4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 285.36 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC13H19NO4S
Molecular Weight285.36 g/mol
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; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Nitrogen Atoms1
Sulfur Atoms1

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