2-[(tert-Butoxycarbonyl)amino]-3-(3-bromophenyl)-4-(4-chlorophenyl)butane CAS 605680-54-4
| CAS No. | 605680-54-4 |
| Molecular Formula | C21H25BrClNO2 |
| Molecular Weight | 438.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-[(tert-Butoxycarbonyl)amino]-3-(3-bromophenyl)-4-(4-chlorophenyl)butane (C21H25BrClNO2) 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 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 438.79 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
2-[(tert-Butoxycarbonyl)amino]-3-(3-bromophenyl)-4-(4-chlorophenyl)butane (CAS 605680-54-4) is a high-purity analytical reference standard with the molecular formula C21H25BrClNO2 and a molecular weight of 438.79 g/mol.
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 | C21H25BrClNO2 |
| Molecular Weight | 438.79 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 |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
Related tert Standards
- 2-((tert-Butoxycarbonyl)amino)-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid (CAS 349535-07-5)
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- 2-((Tert-butoxycarbonyl)amino)-3-((2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino)propanoic acid (CAS 1248587-09-8)
- Butoxycarbonyl-PEG5-sulfonic acid (CAS 1817735-28-6)
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Recommended Standards
- 4-((5-Chloro-6-oxo-1-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazin-4-yl)oxy)-3-ethoxybenzaldehyde (CAS 881464-17-1)
- N-(4-bromophenyl)-3-(4-chlorophenyl)-5-(methylthio)thiophene-2-carboxamide (CAS 477858-02-9)
- Nonacosanoic Acid (CAS 4250-38-8)
- N-(4-chloro-3-nitrophenyl)-1-(trifluoromethyl)-1,3,4,9-tetrahydro-2H-beta-carboline-2-carboxamide (CAS 260798-83-2)
- quinazoline-5-carboxylic acid;sodium salt (CAS 2173991-82-5)
- 4,6-Dimethylpyrimidin-2-ol sulfate (CAS 87773-22-6)
- 1-((Tetrahydro-2H-pyran-2-yl)methyl)piperazine (CAS 130288-92-5)
- 4-(4,5-Dimethyl-1h-imidazol-1-yl)-3-fluorobenzaldehyde (CAS 1249734-07-3)
- 2-[(2-Bromo-4-nitrophenyl)sulfanyl]-1,3-dichlorobenzene (CAS 477888-99-6)
- 2,5-Dimethyl-4-propyl-1H-pyrazol-3(2H)-one (CAS 856847-74-0)
- 2-Bromo-1-(2-methyl-4-nitrophenyl)ethan-1-one (CAS 568556-30-9)
- 2-Phenyloxazole-4-carbaldehyde (CAS 20771-08-8)
- 3-(Aminomethyl)benzofuran (CAS 165735-63-7)
- Semaglutide Impurity 2 (CAS CATO-C4X-22262)
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