3-Bromo-1-(4-(5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepan-1-yl)propan-1-one CAS 646455-90-5
| CAS No. | 646455-90-5 |
| Molecular Formula | C14H17BrF3N3O |
| Molecular Weight | 380.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3-Bromo-1-(4-(5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepan-1-yl)propan-1-one (CAS 646455-90-5), a certified reference material (molecular formula C14H17BrF3N3O, MW 380.20 g/mol) for analytical method development and quality control.
Structurally, 3-Bromo-1-(4-(5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepan-1-yl)propan-1-one (C14H17BrF3N3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 380.20 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C14H17BrF3N3O |
| Molecular Weight | 380.20 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
Related Bromo Standards
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- Ethyl 2-bromo-4-(4-(trifluoromethyl)-phenyl)thiazole-5-carboxylate (CAS 1188153-49-2)
- N-(3-Bromo-5-cyanobenzenesulfonyl)-6-methylpyridine-2-carboxamide (CAS 1808442-59-2)
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- 2-Bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methylbenzamide (CAS 24958-44-9)
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Recommended Standards
- ((2R,3S,4R,5R)-5-(2,6-Dihydroxy-8-oxo-7H-purin-9(8H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate (CAS 21082-31-5)
- 4,4'-Dinitro-2,2'-bis(trifluoromethyl)-1,1'-biphenyl (CAS 641-98-5)
- 3,3'-Dinitro-5,5'-bis(trifluoromethyl)biphenyl (CAS 194344-28-0)
- 4,4'-Dinitro-3,3'-bis(trifluoromethyl)biphenyl (CAS 363-95-1)
- (5-Bromo-3-nitropyridin-2-yl)methanamine (CAS 1174007-35-2)
- N-(4-Bromophenyl)benzo[d]thiazol-2-amine (CAS 6278-86-0)
- (6-Iodopyridin-3-yl)methanamine (CAS 1355238-98-0)
- 2-(6-Chloro-2-methoxypyridin-3-yl)acetic acid (CAS 1261633-42-4)
- 3,5-Diformyl-4-hydroxybenzoic acid (CAS 1384440-57-6)
- 5-(Hydroxymethyl)thiophene-2-carboxylic acid (CAS 14282-64-5)
- N-methyl-2-phenylthiazole-4-carboxamide (CAS 72744-27-5)
- 1-[3-(difluoromethyl)-2-fluoro-phenyl]ethanone (CAS 2139441-40-8)
- N-(2,6-Dichlorophenyl)-4-(pyrazin-2-yl)piperazine-1-carbothioamide (CAS 89007-43-2)
- Fragment-[3-31]-Semaglutide (CAS CATO-C4X-2226113)
Why CATO?
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