Cis-3-((1H-imidazol-1-yl)methyl)-3-(4-chlorophenyl)-2-methyl-5-((p-tolylthio)methyl)isoxazolidine CAS 113944-05-1
| CAS No. | 113944-05-1 |
| Molecular Formula | C22H24ClN3OS |
| Molecular Weight | 413.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 413.96 g/mol gives Cis-3-((1H-imidazol-1-yl)methyl)-3-(4-chlorophenyl)-2-methyl-5-((p-tolylthio)methyl)isoxazolidine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Cis-3-((1H-imidazol-1-yl)methyl)-3-(4-chlorophenyl)-2-methyl-5-((p-tolylthio)methyl)isoxazolidine (CAS 113944-05-1), molecular formula C22H24ClN3OS and molecular weight 413.96 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, Cis-3-((1H-imidazol-1-yl)methyl)-3-(4-chlorophenyl)-2-methyl-5-((p-tolylthio)methyl)isoxazolidine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 413.96 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C22H24ClN3OS |
| Molecular Weight | 413.96 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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