(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6,6,6-trifluorohexanoic acid CAS 2230472-61-2
| CAS No. | 2230472-61-2 |
| Molecular Formula | C21H20F3NO4 |
| Molecular Weight | 407.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6,6,6-trifluorohexanoic acid (CAS 2230472-61-2), molecular formula C21H20F3NO4 and molecular weight 407.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6,6,6-trifluorohexanoic acid (C21H20F3NO4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 407.38 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C21H20F3NO4 |
| Molecular Weight | 407.38 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-5,5,5-trifluoropentanoic acid (CAS 2407820-18-0)
- 4-((9-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)naphthalene-1,2-dione (CAS 671782-38-0)
- (2S,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5,5,5-trifluoro-3-methylpentanoic acid (CAS 2799627-88-4)
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