(1-(Benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanone CAS 1113117-58-0
| CAS No. | 1113117-58-0 |
| Molecular Formula | C26H26FN5O2 |
| Molecular Weight | 459.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (1-(Benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanone is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies (1-(Benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanone (CAS 1113117-58-0), a certified reference material (molecular formula C26H26FN5O2, MW 459.52 g/mol) for analytical method development and quality control.
Structurally, (1-(Benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanone (C26H26FN5O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine 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 459.52 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).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), (1-(Benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanone meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C26H26FN5O2 |
| Molecular Weight | 459.52 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Related Benzofuro Standards
- 1-(Benzofuro[3,2-d]pyrimidin-4-yl)-N-(3,4-dimethoxyphenethyl)piperidine-4-carboxamide (CAS 1112292-68-8)
- 1-(Benzofuro[3,2-d]pyrimidin-4-yl)-N-(3-(ethyl(phenyl)amino)propyl)piperidine-3-carboxamide (CAS 1113118-24-3)
- 1-(Benzofuro[3,2-d]pyrimidin-4-yl)-N-(2-(trifluoromethyl)benzyl)piperidine-3-carboxamide (CAS 1115900-28-1)
- 1-(Benzofuro[3,2-d]pyrimidin-4-yl)-N-(4-propoxybenzyl)piperidine-3-carboxamide (CAS 1112293-00-1)
- 1-(Benzofuro[3,2-d]pyrimidin-4-yl)-N-(4-chlorophenethyl)piperidine-3-carboxamide (CAS 1113118-12-9)
- 1-(Benzofuro[3,2-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide (CAS 1112392-96-7)
- 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(2,4-dimethoxyphenyl)acetamide (CAS 846065-09-6)
- (3-(7H-Benzofuro[2,3-b]carbazol-7-yl)phenyl)boronic acid (CAS 1369587-56-3)
Recommended Standards
- 3-((2,3-Dihydrobenzo[b][1,4]dioxine)-6-sulfonamido)-N-(2-oxo-2-(piperidin-1-yl)ethyl)benzamide (CAS 1111446-79-7)
- Diethyl ((1S)-(6-methoxyquinolin-4-yl)(5-vinylquinuclidin-2-yl)methyl)phosphoramidate (CAS 1354565-15-3)
- Orforglipron Impurity 39 (CAS CATO-C4X-323439)
- Diethyl ((1R)-(6-methoxyquinolin-4-yl)(5-vinylquinuclidin-2-yl)methyl)phosphoramidate (CAS 1355995-83-3)
- 2-Hydroxybut-3-ynoic acid (CAS 38628-65-8)
- Methyl 3-(4,6-Dichloro-5-pyrimidyl)butyrate (CAS 1295516-49-2)
- Tert-butyl 4-(2-oxo-1,3,8-triazaspiro[4.5]Decan-3-yl)benzoate (CAS 2055882-75-0)
- Methyl 2,4-Bis(trifluoromethyl)phenylacetate (CAS 1807109-05-2)
- 3-((1-Carboxy-2-((5,5-dimethyl-4,5-dihydroisoxazol-3-yl)thio)ethyl)amino)-3-oxopropanoic acid (CAS 1544489-04-4)
- Ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,2,3,4-tetrahydro-1,8-naphthyridine-3-carboxylate (CAS 125290-81-5)
- Ethyl 3,5-dibromobenzoate (CAS 67973-33-5)
- o1-Tert-butylo4-ethyl(3s,4s)-3-aminopiperidine-1,4-dicarboxylate (CAS 1006891-30-0)
- 3-((4-Ethylcyclohexyl)amino)azepan-2-one (CAS 1164101-91-0)
- Tirzepatide Impurity 25 X TFA Salt (CAS CATO-C4X-324025)
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