3-Cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl 4-fluorobenzoate CAS 252026-48-5
| CAS No. | 252026-48-5 |
| Molecular Formula | C21H15FN2O4 |
| Molecular Weight | 378.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 378.35 g/mol gives 3-Cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl 4-fluorobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl 4-fluorobenzoate (CAS 252026-48-5), molecular formula C21H15FN2O4 and molecular weight 378.35 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl 4-fluorobenzoate (C21H15FN2O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 378.35 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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.
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 | C21H15FN2O4 |
| Molecular Weight | 378.35 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 2-Amino-7,7-dimethyl-5-oxo-4-(4-(trifluoromethoxy)phenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 340808-47-1)
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- 2-(3,4-Difluorophenyl)-4-hydroxy-5-(4-(methylsulfonyl)phenyl)pyridazin-3(2H)-one (CAS 221031-62-5)
- 5-((4-Propoxyphenoxy)methyl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole (CAS 860784-36-7)
- 2-Fluoro-4-(methylthio)-3-pyridinemethanol (CAS 1809161-48-5)
- 1-(1-(1H-Pyrrol-2-yl)isoquinolin-2(1H)-yl)ethanone (CAS 827320-68-3)
- 3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-one (CAS 1240526-77-5)
- 3-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-pentanoic acid methyl ester (CAS 1940181-85-0)
- 3-(2-Methyl-1H-imidazol-5-yl)propanoic acid (CAS 122528-90-9)
- trans-4-(Boc-aminomethyl)cyclohexanecarboxamide (CAS 749866-15-7)
- cyclohexanecarboximidamide (CAS 24722-30-3)
- 2,2'-((1E,5E)-3,4-Dimethoxyhexa-1,3,5-triene-1,6-diyl)difuran (CAS 819814-21-6)
- Diethyl 2-hydroxyfumarate (CAS 98790-56-8)
- HIV (gp120) Antigenic Peptide (H-2982.0500) (CAS 198636-94-1)
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