Methyl 4-[(n-benzyl4-chlorobenzenesulfonamido)methyl]benzoate CAS 869775-77-9

Purity 97%+In StockPharmaceutical Standards
CAS No.869775-77-9
Molecular FormulaC22H20ClNO4S
Molecular Weight429.92 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 4-[(n-benzyl4-chlorobenzenesulfonamido)methyl]benzoate CAS 869775-77-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 429.92 g/mol gives Methyl 4-[(n-benzyl4-chlorobenzenesulfonamido)methyl]benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 4-[(n-benzyl4-chlorobenzenesulfonamido)methyl]benzoate (CAS 869775-77-9), molecular formula C22H20ClNO4S and molecular weight 429.92 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, Methyl 4-[(n-benzyl4-chlorobenzenesulfonamido)methyl]benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 429.92 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC22H20ClNO4S
Molecular Weight429.92 g/mol
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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.)1987
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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