N-{4-[(4-bromobenzenesulfinyl)methyl]phenyl}-3-(trifluoromethyl)benzamide CAS 338398-80-4

Purity 97%+In StockPharmaceutical Standards
CAS No.338398-80-4
Molecular FormulaC21H15BrF3NO2S
Molecular Weight482.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-{4-[(4-bromobenzenesulfinyl)methyl]phenyl}-3-(trifluoromethyl)benzamide CAS 338398-80-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 482.31 g/mol gives N-{4-[(4-bromobenzenesulfinyl)methyl]phenyl}-3-(trifluoromethyl)benzamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

N-{4-[(4-bromobenzenesulfinyl)methyl]phenyl}-3-(trifluoromethyl)benzamide (CAS 338398-80-4) is a high-purity analytical reference standard with the molecular formula C21H15BrF3NO2S and a molecular weight of 482.31 g/mol.

Structurally, N-{4-[(4-bromobenzenesulfinyl)methyl]phenyl}-3-(trifluoromethyl)benzamide (C21H15BrF3NO2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 482.31 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.

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 FormulaC21H15BrF3NO2S
Molecular Weight482.31 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Br-containing
Nitrogen Atoms1
Sulfur Atoms1

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