11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-(pyrrolidin-1-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene CAS 439110-62-0

Purity 97%+In StockPharmaceutical Standards
CAS No.439110-62-0
Molecular FormulaC23H24N4S2
Molecular Weight420.59 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-(pyrrolidin-1-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene CAS 439110-62-0 chemical structure

Description

Structurally, 11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-(pyrrolidin-1-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (C23H24N4S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 420.59 g/mol, it falls into the moderately-high-molecular-weight range. 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).

11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-(pyrrolidin-1-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (CAS 439110-62-0) is a high-purity analytical reference standard with the molecular formula C23H24N4S2 and a molecular weight of 420.59 g/mol.

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), 11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-(pyrrolidin-1-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene 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 FormulaC23H24N4S2
Molecular Weight420.59 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms4
Sulfur Atoms2

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