(alphaS,betaR)-Bedaquiline CAS 843663-66-1
| CAS No. | 843663-66-1 |
| Molecular Formula | C32H31BrN2O2 |
| Molecular Weight | 555.50 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.
CATO supplies (alphaS,betaR)-Bedaquiline (CAS 843663-66-1), a certified reference material (molecular formula C32H31BrN2O2, MW 555.50 g/mol) for analytical method development and quality control.
The molecular framework of (alphaS,betaR)-Bedaquiline (C32H31BrN2O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C32H31BrN2O2 |
| Molecular Weight | 555.50 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | >95% |
| 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- Bedaquiline (1S,2S) Isomer Impurity 3 (CAS 1972612-60-4)
- Tegoprazan Impurity 77 (CAS CATO-C4X-229777)
- Bedaquiline Impurity 20 (CAS CATO-C4X-116720)
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