3-(Pyrrolidin-1-ylmethyl)-N-(thiophen-2-ylmethyl)-1,4-thiazepane-4-carboxamide CAS 1421455-33-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1421455-33-5
Molecular FormulaC16H25N3OS2
Molecular Weight339.52 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(Pyrrolidin-1-ylmethyl)-N-(thiophen-2-ylmethyl)-1,4-thiazepane-4-carboxamide CAS 1421455-33-5 chemical structure

Description

The occurrence of 3-(Pyrrolidin-1-ylmethyl)-N-(thiophen-2-ylmethyl)-1,4-thiazepane-4-carboxamide is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-(Pyrrolidin-1-ylmethyl)-N-(thiophen-2-ylmethyl)-1,4-thiazepane-4-carboxamide (CAS 1421455-33-5), molecular formula C16H25N3OS2 and molecular weight 339.52 g/mol, is a CATO reference standard with documented purity and traceability.

3-(Pyrrolidin-1-ylmethyl)-N-(thiophen-2-ylmethyl)-1,4-thiazepane-4-carboxamide (C16H25N3OS2) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

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 FormulaC16H25N3OS2
Molecular Weight339.52 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Nitrogen Atoms3
Sulfur Atoms2

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