8-(Isopropylthio)-3-methyl-7-(2-methylallyl)-3,7-dihydro-1H-purine-2,6-dione CAS 332098-53-0

Purity 97%+In StockPharmaceutical Standards
CAS No.332098-53-0
Molecular FormulaC13H18N4O2S
Molecular Weight294.37 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

8-(Isopropylthio)-3-methyl-7-(2-methylallyl)-3,7-dihydro-1H-purine-2,6-dione CAS 332098-53-0 chemical structure

Description

8-(Isopropylthio)-3-methyl-7-(2-methylallyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 332098-53-0), molecular formula C13H18N4O2S and molecular weight 294.37 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 8-(Isopropylthio)-3-methyl-7-(2-methylallyl)-3,7-dihydro-1H-purine-2,6-dione (C13H18N4O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 294.37 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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.

As a certified reference material (CRM), 8-(Isopropylthio)-3-methyl-7-(2-methylallyl)-3,7-dihydro-1H-purine-2,6-dione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC13H18N4O2S
Molecular Weight294.37 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms4
Sulfur Atoms1

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