(1S,2R,4S,5R)-1-([1,1':3',1''-Terphenyl]-5'-ylmethyl)-2-((S)-hydroxy(2-(4-(trifluoromethyl)phenyl)quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide CAS 2451653-99-7
| CAS No. | 2451653-99-7 |
| Molecular Formula | C45H40F3N2O |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 761.73 g/mol gives (1S,2R,4S,5R)-1-([1,1':3',1''-Terphenyl]-5'-ylmethyl)-2-((S)-hydroxy(2-(4-(trifluoromethyl)phenyl)quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (1S,2R,4S,5R)-1-([1,1':3',1''-Terphenyl]-5'-ylmethyl)-2-((S)-hydroxy(2-(4-(trifluoromethyl)phenyl)quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide (CAS 2451653-99-7), a certified reference material (molecular formula C45H40F3N2OBr, MW 761.73 g/mol) for analytical method development and quality control.
The molecular framework of (1S,2R,4S,5R)-1-([1,1':3',1''-Terphenyl]-5'-ylmethyl)-2-((S)-hydroxy(2-(4-(trifluoromethyl)phenyl)quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide (C45H40F3N2OBr) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/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.
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 | C45H40F3N2O Br |
| Molecular Weight | 761.73 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 25.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- t-Butyl 4-(3-bromo-2-cyanophenyl)piperazine-1-carboxylate (CAS 1260898-57-4)
- (2R,4S,5R)-4-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-ol (CAS 117122-84-6)
- 1,3,4-Triphenylisoquinoline (CAS 30081-56-2)
- (1'R,2'S,3a'S,7a'S)-2'-Bromo-7a'-methyloctahydrospiro[[1,3]dioxolane-2,5'-inden]-1'-ol (CAS 2231075-83-3)
- 2-Fluoro-5-nitro-3-(trifluoromethyl)phenylboronic acid (CAS 2096335-05-4)
- Octanoyl β-D-glucosylamine (CAS 134403-86-4)
- 2-Bromo-N-(2,5-dimethoxyphenyl)acetamide (CAS 349120-92-9)
- 4-Bromo-4'-chloro-1,1'-biphenyl (CAS 23055-77-8)
- (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid hydrochloride (CAS 1929582-61-5)
- Semaglutide impurity 84 (CAS CATO-C4X-222684)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com