Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate CAS 449788-70-9
| CAS No. | 449788-70-9 |
| Molecular Formula | C18H17Br2NO3 |
| Molecular Weight | 455.14 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.
Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate (CAS 449788-70-9), molecular formula C18H17Br2NO3 and molecular weight 455.14 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C18H17Br2NO3, Ethyl 4-(2,3-dibromo-3-phenylpropanamido)benzoate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 455.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C18H17Br2NO3 |
| Molecular Weight | 455.14 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.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 3,5-Bis(3-bromophenyl)-4-phenyl-4H-1,2,4-triazole (CAS 1198843-27-4)
- 3,5-Bis(4-bromophenyl)-4-phenyl-4H-1,2,4-triazole (CAS 208124-25-8)
- Fipronil Amide (CAS 205650-69-7)
- 1-(3-Boronophenyl)cyclopentane-1-carboxylic acid (CAS 1016644-54-4)
- 5-Methoxy-1,2,3,4-tetrahydroquinoline Hydrochloride (CAS 1073968-65-6)
- 3-((4-Chlorophenyl)thio)-1-(4-methoxyphenyl)-3-(4-(methylthio)phenyl)propan-1-one (CAS 303091-30-7)
- Opicapone Impurity 01 (CAS 175204-44-1)
- (R)-3-Hydroxymyristic Acid (CAS 28715-21-1)
- Atorvastatin Impurity 167 (CAS CATO-C4X-1132167)
- 3-(Piperidin-4-yl)-1h-indole-5-carboxamide (CAS 177940-51-1)
- GR 55562 hydrochloride (CAS 172854-55-6)
- 3-Bromo-1-methyl-1H-indazol-6-ol (CAS 1781870-22-1)
- Biotinyl-Glucagon (1-29) (human, rat, porcine) trifluoroacetate salt (CAS 1802086-28-7)
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