(S)-ethyl 2-(2,6-dichlorobenzamido)-3-(4-bromophenyl)propanoate CAS 232276-01-6
| CAS No. | 232276-01-6 |
| Molecular Formula | C18H16BrCl2NO3 |
| Molecular Weight | 445.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(S)-ethyl 2-(2,6-dichlorobenzamido)-3-(4-bromophenyl)propanoate (CAS 232276-01-6), molecular formula C18H16BrCl2NO3 and molecular weight 445.13 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (S)-ethyl 2-(2,6-dichlorobenzamido)-3-(4-bromophenyl)propanoate (C18H16BrCl2NO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine 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 445.13 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H16BrCl2NO3 |
| Molecular Weight | 445.13 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| 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.) | 2023 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Octadecyl 4-Chlorobenzenesulfonate (CAS 34184-41-3)
- 3-Fluoro-6-isobutoxy-2,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS 2377606-11-4)
- Bis[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,5-oxadiazol-2-ium-2-olate (CAS 303997-49-1)
- 1,4-Bis[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine (CAS 190437-62-8)
- 1,5-Bis(2-bromo-5-hydroxyphenyl)pentan-3-one (CAS 1427054-10-1)
- 1,5-Diethyl-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7(4H)-one (CAS 89239-67-8)
- 3-(Difluoromethyl)-6-fluoro-4-hydroxypicolinonitrile (CAS 1806870-60-9)
- 2,3-Diphenylbutane-2,3-diamine (CAS 109090-35-9)
- 4-Chloro-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide (CAS 1805411-30-6)
- 3,5-Cycloergosta-6,8(14),22-triene (CAS 24352-51-0)
- 1-(3-Methoxy-4-methylphenyl)-3-oxocyclobutane-1-carboxylic acid (CAS 1481762-21-3)
- trans-Tetrakis(tert-butyl isonitrile)dichlororuthenium (CAS 64315-53-3)
- ditert-butyl (2S)-2-(cyanomethyl)piperazine-1,4-dicarboxylate (CAS 1242267-77-1)
- Peptide 442 (CAS CATO-CPTD788442)
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