4-(5-Chloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid(4-methylsulfanyl-phenyl)-amide CAS 606081-87-2

Purity 97%+In StockPharmaceutical Standards
CAS No.606081-87-2
Molecular FormulaC20H21ClN4OS
Molecular Weight400.92 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(5-Chloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid(4-methylsulfanyl-phenyl)-amide CAS 606081-87-2 chemical structure

Description

The occurrence of 4-(5-Chloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid(4-methylsulfanyl-phenyl)-amide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 4-(5-Chloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid(4-methylsulfanyl-phenyl)-amide (CAS 606081-87-2), a certified reference material (molecular formula C20H21ClN4OS, MW 400.92 g/mol) for analytical method development and quality control.

Structurally, 4-(5-Chloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid(4-methylsulfanyl-phenyl)-amide (C20H21ClN4OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 400.92 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC20H21ClN4OS
Molecular Weight400.92 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentCl-containing
Nitrogen Atoms4
Sulfur Atoms1

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