N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzamide CAS 478032-94-9

Purity 97%+In StockPharmaceutical Standards
CAS No.478032-94-9
Molecular FormulaC21H18ClN3O
Molecular Weight363.84 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzamide CAS 478032-94-9 chemical structure

Description

The occurrence of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzamide is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzamide (CAS 478032-94-9), a certified reference material (molecular formula C21H18ClN3O, MW 363.84 g/mol) for analytical method development and quality control.

Structurally, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzamide (C21H18ClN3O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 363.84 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC21H18ClN3O
Molecular Weight363.84 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, 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)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms3

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