5-(2,4-Bis(benzyloxy)-5-chlorophenyl)-4-bromo-N-ethylisoxazole-3-carboxamide CAS 747413-06-5
| CAS No. | 747413-06-5 |
| Molecular Formula | C26H22BrClN2O4 |
| Molecular Weight | 541.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-(2,4-Bis(benzyloxy)-5-chlorophenyl)-4-bromo-N-ethylisoxazole-3-carboxamide.
5-(2,4-Bis(benzyloxy)-5-chlorophenyl)-4-bromo-N-ethylisoxazole-3-carboxamide (CAS 747413-06-5) is a high-purity analytical reference standard with the molecular formula C26H22BrClN2O4 and a molecular weight of 541.82 g/mol.
Structurally, 5-(2,4-Bis(benzyloxy)-5-chlorophenyl)-4-bromo-N-ethylisoxazole-3-carboxamide (C26H22BrClN2O4) 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 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 541.82 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.
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 | C26H22BrClN2O4 |
| Molecular Weight | 541.82 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- (5-(1-((2-(Trimethylsilyl)ethoxy)methyl)-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)-1H-indazol-6-yl)-2H-1,2,3-triazol-4-yl)methanol (CAS 1956366-49-6)
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- Ursodeoxycholic Acid impurity 93 (CAS CATO-C4X-142293)
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- N-(3-Ethynylbenzyl)acetamide (CAS 949115-73-5)
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- (1R*,4R*)-1-N-(Pyrimidin-2-yl)cyclohexane-1,4-diamine dihydrochloride (CAS 1448854-77-0)
- 6-amino-4-tert-butoxycarbonyl-1,4-oxazepane-6-carboxylic acid (CAS 2306271-33-8)
- 5,7-Dichloro-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 1374306-27-0)
- n-(Furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)acetamide (CAS 1110831-62-3)
- 3-methoxy-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CAS 1883426-06-9)
- 2-(Benzofuran-2-ylmethylene)-6-hydroxy-4-methyl-7-(piperidin-1-ylmethyl)benzofuran-3(2H)-one (CAS 929807-86-3)
- N-[(4-nitrophenyl)methyl]aniline (CAS 10359-18-9)
- Insulin Degludec Impurity 10 (CAS CATO-C4X-215710)
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