Methyl 3-((4-carbamoylpiperidin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate CAS 899725-32-7

Purity 97%+In StockPharmaceutical Standards
CAS No.899725-32-7
Molecular FormulaC16H18N2O5S2
Molecular Weight382.45 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 3-((4-carbamoylpiperidin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate CAS 899725-32-7 chemical structure

Description

The occurrence of Methyl 3-((4-carbamoylpiperidin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate is closely related to a flavonoid core, 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.

Methyl 3-((4-carbamoylpiperidin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (CAS 899725-32-7), molecular formula C16H18N2O5S2 and molecular weight 382.45 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C16H18N2O5S2, Methyl 3-((4-carbamoylpiperidin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate contains a flavonoid core, 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 382.45 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.

As a certified reference material (CRM), Methyl 3-((4-carbamoylpiperidin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate 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 FormulaC16H18N2O5S2
Molecular Weight382.45 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms2
Sulfur Atoms2

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