N-[4-(Acetylamino)phenyl]-2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]acetamide CAS 872695-47-1

Purity 97%+In StockPharmaceutical Standards
CAS No.872695-47-1
Molecular FormulaC21H18N4O4S
Molecular Weight422.46 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-[4-(Acetylamino)phenyl]-2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]acetamide CAS 872695-47-1 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including N-[4-(Acetylamino)phenyl]-2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]acetamide.

N-[4-(Acetylamino)phenyl]-2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]acetamide (CAS 872695-47-1), molecular formula C21H18N4O4S and molecular weight 422.46 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, N-[4-(Acetylamino)phenyl]-2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]acetamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 422.46 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC21H18N4O4S
Molecular Weight422.46 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)15.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms4
Sulfur Atoms1

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