(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)propanoic acid CAS 1998643-99-4
| CAS No. | 1998643-99-4 |
| Molecular Formula | C27H25NO6 |
| Molecular Weight | 459.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)propanoic acid (CAS 1998643-99-4), molecular formula C27H25NO6 and molecular weight 459.49 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)propanoic acid (C27H25NO6) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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 | C27H25NO6 |
| Molecular Weight | 459.49 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Nitrogen Atoms | 1 |
Recommended Standards
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- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(benzyloxy)-5-oxopentanoic acid (CAS 1362858-86-3)
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- (E)-N,N-dimethyl-N'-(phenylsulfonyl)formohydrazonamide (CAS 90648-60-5)
- 1-Ethyl-1H-tetrazol-5-amine (CAS 65258-53-9)
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- N-Nonadecane (CAS 629-92-5)
- Semaglutide impurity 54 (CAS CATO-C4X-222654)
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