(2Z)-3-[4-(4-Chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-(3-methoxyphenyl)prop-2-enenitrile CAS 478041-85-9

Purity 97%+In StockPharmaceutical Standards
CAS No.478041-85-9
Molecular FormulaC25H20ClN3OS
Molecular Weight445.96 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2Z)-3-[4-(4-Chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-(3-methoxyphenyl)prop-2-enenitrile CAS 478041-85-9 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (2Z)-3-[4-(4-Chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-(3-methoxyphenyl)prop-2-enenitrile.

(2Z)-3-[4-(4-Chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-(3-methoxyphenyl)prop-2-enenitrile (CAS 478041-85-9), molecular formula C25H20ClN3OS and molecular weight 445.96 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of (2Z)-3-[4-(4-Chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-(3-methoxyphenyl)prop-2-enenitrile (C25H20ClN3OS) 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), (2Z)-3-[4-(4-Chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-(3-methoxyphenyl)prop-2-enenitrile 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 FormulaC25H20ClN3OS
Molecular Weight445.96 g/mol
Purity97%+
StorageStore at room temperature, 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)17.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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