3-Methyl-7-(2-methylallyl)-8-(phenylthio)-3,7-dihydro-1H-purine-2,6-dione CAS 672944-74-0

Purity 97%+In StockPharmaceutical Standards
CAS No.672944-74-0
Molecular FormulaC16H16N4O2S
Molecular Weight328.39 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Methyl-7-(2-methylallyl)-8-(phenylthio)-3,7-dihydro-1H-purine-2,6-dione CAS 672944-74-0 chemical structure

Description

3-Methyl-7-(2-methylallyl)-8-(phenylthio)-3,7-dihydro-1H-purine-2,6-dione (CAS 672944-74-0), molecular formula C16H16N4O2S and molecular weight 328.39 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 3-Methyl-7-(2-methylallyl)-8-(phenylthio)-3,7-dihydro-1H-purine-2,6-dione (C16H16N4O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).

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), 3-Methyl-7-(2-methylallyl)-8-(phenylthio)-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 FormulaC16H16N4O2S
Molecular Weight328.39 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Nitrogen Atoms4
Sulfur Atoms1

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