1-(6-Fluoro-3-(4-(methylsulfonyl)piperazine-1-carbonyl)quinolin-4-yl)-4-phenylpiperidine-4-carbonitrile CAS 2231079-74-4
| CAS No. | 2231079-74-4 |
| Molecular Formula | C27H28FN5O3S |
| Molecular Weight | 521.61 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 521.61 g/mol gives 1-(6-Fluoro-3-(4-(methylsulfonyl)piperazine-1-carbonyl)quinolin-4-yl)-4-phenylpiperidine-4-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-(6-Fluoro-3-(4-(methylsulfonyl)piperazine-1-carbonyl)quinolin-4-yl)-4-phenylpiperidine-4-carbonitrile (CAS 2231079-74-4), molecular formula C27H28FN5O3S and molecular weight 521.61 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 1-(6-Fluoro-3-(4-(methylsulfonyl)piperazine-1-carbonyl)quinolin-4-yl)-4-phenylpiperidine-4-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 521.61 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C27H28FN5O3S |
| Molecular Weight | 521.61 g/mol |
| 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.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Fluoro Standards
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- 4-({[4-Fluoro-3-(trifluoromethyl)phenyl]methyl}(3-methyl-1-benzothiophen-2-yl)sulfamoyl)benzoic acid (CAS 1104625-59-3)
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- 5-Fluoro-1-(phenylsulfonyl)-2-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CAS 2088162-37-0)
- 5-Fluoro-3-iodo-1-(phenylsulfonyl)-2-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)-1H-pyrrolo[2,3-b]pyridine (CAS 2097895-16-2)
- 2-Fluoro-4-[[4-(4-pyridinylmethyl)-1-piperazinyl]methyl]-α,α-bis(trifluoromethyl)-[1,1-biphenyl]-4-methanol (CAS 1359164-11-6)
Recommended Standards
- (S,R)-BisPh-Pybox (CAS 292625-77-5)
- 2,6-Bis((4S,5S)-4,5-diphenyl-4,5-dihydrooxazol-2-yl)pyridine (CAS 410092-98-7)
- (R,S)-BisPh-Pybox (CAS 497172-36-8)
- 2,6-Bis[(4R,5R)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]pyridine (CAS 372200-56-1)
- 4-Bromo-3-((2,2-difluoroethoxy)methyl)-1-(difluoromethyl)-1H-pyrazole (CAS 1856096-99-5)
- Methyl 2-Methoxyisonicotinate (CAS 26156-51-4)
- Methyl (s)-3-(3-fluorophenyl)-3-hydroxypropanoate (CAS 1454691-23-6)
- n-Butyltin trichloride (CAS 1118-46-3)
- 3-Bromo-N-cyclohexyl-5-nitrobenzamide (CAS 941294-22-0)
- 4-(Difluoromethyl)-6-methyl-5-nitronicotinic acid (CAS 1805469-16-2)
- Indoline-4-carbonitrile hydrochloride (CAS 1187933-20-5)
- 5-(Difluoromethyl)-3-iodo-4-methylpyridin-2-amine (CAS 1805961-79-8)
- N-(4-(Diisopropylamino)but-2-yn-1-yl)-2,5-difluorobenzenesulfonamide (CAS 1396866-20-8)
- Delta-Sleep Inducing Peptide (CAS 62568-57-4)
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