3-(4-Chlorophenyl)-5,7-dimethylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione CAS 68205-95-8

Purity 97%+In StockPharmaceutical Standards
CAS No.68205-95-8
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(4-Chlorophenyl)-5,7-dimethylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione CAS 68205-95-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 291.69 g/mol gives 3-(4-Chlorophenyl)-5,7-dimethylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-(4-Chlorophenyl)-5,7-dimethylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione (CAS 68205-95-8) is a high-purity analytical reference standard with the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol.

Structurally, 3-(4-Chlorophenyl)-5,7-dimethylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione (C13H10ClN3O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 291.69 g/mol, it falls into the medium-molecular-weight range. 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 FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1976
Halogen ContentCl-containing
Nitrogen Atoms3

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