1,2,3,4-Tetrahydro-3,3-dimethyl-2-[(4-methylphenyl)sulfonyl]isoquinoline CAS 200631-40-9
| CAS No. | 200631-40-9 |
| Molecular Formula | C18H21NO2S |
| Molecular Weight | 315.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1,2,3,4-Tetrahydro-3,3-dimethyl-2-[(4-methylphenyl)sulfonyl]isoquinoline (CAS 200631-40-9), molecular formula C18H21NO2S and molecular weight 315.43 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1,2,3,4-Tetrahydro-3,3-dimethyl-2-[(4-methylphenyl)sulfonyl]isoquinoline (C18H21NO2S) 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
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 | C18H21NO2S |
| Molecular Weight | 315.43 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2014 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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