4-(3-chloro-4-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0²,⁷]tetradeca-1(9),2(7),5-trien-3-one CAS 885524-55-0

Purity 97%+In StockPharmaceutical Standards
CAS No.885524-55-0
Molecular FormulaC18H29ClN2OS2
Molecular Weight389.02 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(3-chloro-4-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0²,⁷]tetradeca-1(9),2(7),5-trien-3-one CAS 885524-55-0 chemical structure

Description

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.

4-(3-chloro-4-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0²,⁷]tetradeca-1(9),2(7),5-trien-3-one (CAS 885524-55-0) is a high-purity analytical reference standard with the molecular formula C18H29ClN2OS2 and a molecular weight of 389.02 g/mol.

The molecular framework of 4-(3-chloro-4-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0²,⁷]tetradeca-1(9),2(7),5-trien-3-one (C18H29ClN2OS2) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

As a certified reference material (CRM), 4-(3-chloro-4-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0²,⁷]tetradeca-1(9),2(7),5-trien-3-one 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 FormulaC18H29ClN2OS2
Molecular Weight389.02 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms2

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