Methyl 2-((4-cyano-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetate CAS 861209-23-6
| CAS No. | 861209-23-6 |
| Molecular Formula | C20H20N2O2S |
| Molecular Weight | 352.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 2-((4-cyano-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetate (CAS 861209-23-6), molecular formula C20H20N2O2S and molecular weight 352.45 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 2-((4-cyano-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetate (C20H20N2O2S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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 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).
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C20H20N2O2S |
| Molecular Weight | 352.45 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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