N-(3-(1H-Indol-3-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl)-2-chlorobenzamide CAS 956809-39-5
| CAS No. | 956809-39-5 |
| Molecular Formula | C28H22ClN3O2 |
| Molecular Weight | 467.95 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(3-(1H-Indol-3-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl)-2-chlorobenzamide is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-(3-(1H-Indol-3-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl)-2-chlorobenzamide (CAS 956809-39-5) is a high-purity analytical reference standard with the molecular formula C28H22ClN3O2 and a molecular weight of 467.95 g/mol.
Structurally, N-(3-(1H-Indol-3-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl)-2-chlorobenzamide (C28H22ClN3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 19.0, corresponding to approximately 19 ring(s) or double-bond equivalent(s). With a molecular weight of 467.95 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C28H22ClN3O2 |
| Molecular Weight | 467.95 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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