N-(2-chloro-4-fluorophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide CAS 1040634-16-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1040634-16-9
Molecular FormulaC21H15ClFN3O2S2
Molecular Weight459.94 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(2-chloro-4-fluorophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide CAS 1040634-16-9 chemical structure

Description

The occurrence of N-(2-chloro-4-fluorophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies N-(2-chloro-4-fluorophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide (CAS 1040634-16-9), a certified reference material (molecular formula C21H15ClFN3O2S2, MW 459.94 g/mol) for analytical method development and quality control.

Based on its molecular formula C21H15ClFN3O2S2, N-(2-chloro-4-fluorophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 459.94 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC21H15ClFN3O2S2
Molecular Weight459.94 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)15.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentF/Cl-containing
Nitrogen Atoms3
Sulfur Atoms2

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