2-Isopropyl-3-mercapto-2,6a,7,12b-tetrahydro-1H,6H-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidin-1-one CAS 879771-32-1

Purity 97%+In StockPharmaceutical Standards
CAS No.879771-32-1
Molecular FormulaC17H18N2O3S
Molecular Weight330.40 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Isopropyl-3-mercapto-2,6a,7,12b-tetrahydro-1H,6H-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidin-1-one CAS 879771-32-1 chemical structure

Description

The occurrence of 2-Isopropyl-3-mercapto-2,6a,7,12b-tetrahydro-1H,6H-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidin-1-one is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-Isopropyl-3-mercapto-2,6a,7,12b-tetrahydro-1H,6H-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidin-1-one (CAS 879771-32-1), molecular formula C17H18N2O3S and molecular weight 330.40 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 2-Isopropyl-3-mercapto-2,6a,7,12b-tetrahydro-1H,6H-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidin-1-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 330.40 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC17H18N2O3S
Molecular Weight330.40 g/mol
Purity97%+
StorageStore at 2-8°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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms2
Sulfur Atoms1

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