1-((7AS)-8,8-dimethyl-1,1-dioxidohexahydro-4H-3a,6-methanobenzo[d]isothiazol-7-yl)but-2-en-1-one CAS 94594-81-7

Purity 97%+In StockPharmaceutical Standards
CAS No.94594-81-7
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-((7AS)-8,8-dimethyl-1,1-dioxidohexahydro-4H-3a,6-methanobenzo[d]isothiazol-7-yl)but-2-en-1-one CAS 94594-81-7 chemical structure

Description

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 supplies 1-((7AS)-8,8-dimethyl-1,1-dioxidohexahydro-4H-3a,6-methanobenzo[d]isothiazol-7-yl)but-2-en-1-one (CAS 94594-81-7), a certified reference material (molecular formula C14H21NO3S, MW 283.39 g/mol) for analytical method development and quality control.

The molecular framework of 1-((7AS)-8,8-dimethyl-1,1-dioxidohexahydro-4H-3a,6-methanobenzo[d]isothiazol-7-yl)but-2-en-1-one (C14H21NO3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

As a certified reference material (CRM), 1-((7AS)-8,8-dimethyl-1,1-dioxidohexahydro-4H-3a,6-methanobenzo[d]isothiazol-7-yl)but-2-en-1-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Purity97%+
StorageStore at 2-8°C, 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; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Nitrogen Atoms1
Sulfur Atoms1

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