4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione CAS 321998-77-0
| CAS No. | 321998-77-0 |
| Molecular Formula | C17H15ClF3N3O2 |
| Molecular Weight | 385.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 385.77 g/mol gives 4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione (CAS 321998-77-0), a certified reference material (molecular formula C17H15ClF3N3O2, MW 385.77 g/mol) for analytical method development and quality control.
Structurally, 4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione (C17H15ClF3N3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 385.77 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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.
As a certified reference material (CRM), 4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione 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 Formula | C17H15ClF3N3O2 |
| Molecular Weight | 385.77 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
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