| CAS No. | 82611-58-3 |
| Molecular Formula | C17H16INO4 |
| Molecular Weight | 425.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 2-(((Benzyloxy)carbonyl)amino)-3-(4-iodophenyl)propanoic acid is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(((Benzyloxy)carbonyl)amino)-3-(4-iodophenyl)propanoic acid (CAS 82611-58-3), molecular formula C17H16INO4 and molecular weight 425.22 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H16INO4, 2-(((Benzyloxy)carbonyl)amino)-3-(4-iodophenyl)propanoic acid contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 425.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
| Molecular Formula | C17H16INO4 |
| Molecular Weight | 425.22 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1980 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |