5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydroisothiazolo[4,5-c]pyridine-3-carboxylic acid CAS 2494304-68-4

Purity 97%+In StockPharmaceutical Standards
CAS No.2494304-68-4
Molecular FormulaC12H16N2O4S
Molecular Weight284.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydroisothiazolo[4,5-c]pyridine-3-carboxylic acid CAS 2494304-68-4 chemical structure

Description

5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydroisothiazolo[4,5-c]pyridine-3-carboxylic acid (CAS 2494304-68-4), molecular formula C12H16N2O4S and molecular weight 284.33 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C12H16N2O4S, 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydroisothiazolo[4,5-c]pyridine-3-carboxylic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 284.33 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.

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

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 FormulaC12H16N2O4S
Molecular Weight284.33 g/mol
Purity97%+
StorageStore at 2-8°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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2000
Nitrogen Atoms2
Sulfur Atoms1

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