N-(3-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide CAS 1775346-76-3
| CAS No. | 1775346-76-3 |
| Molecular Formula | C20H20FN5O4 |
| Molecular Weight | 413.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(3-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide is closely related to a flavonoid 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.
N-(3-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide (CAS 1775346-76-3), molecular formula C20H20FN5O4 and molecular weight 413.40 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(3-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide (C20H20FN5O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 413.40 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), N-(3-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide 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 | C20H20FN5O4 |
| Molecular Weight | 413.40 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Related N Standards
- N-(4-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide (CAS 1775338-27-6)
- N-[(4-Fluorophenyl)methyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]acetamide (CAS 1775485-44-3)
- N-(2-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide (CAS 1775565-83-7)
- N-((1-((4-Fluorophenyl)carbamoyl)piperidin-4-yl)methyl)benzo[c][1,2,5]thiadiazole-5-carboxamide (CAS 1234937-24-6)
- 4-((4-Fluorophenyl)sulfonyl)-7-iodo-1,2-dihydronaphthalene (CAS 2041841-93-2)
- 4-(4-(4-Fluorophenyl)-5-(2-(propylthio)pyrimidin-4-yl)-1h-imidazol-1-yl)cyclohexanol (CAS 1455432-05-9)
- 3-((4-Fluorophenyl)thio)-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene 1-oxide (CAS 477762-72-4)
- 4-[3-(4-fluorophenyl)acryloyl]phenyl 4-(trifluoromethyl)benzoate (CAS 279691-57-5)
Recommended Standards
- 2-[4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]-N-(3-fluorophenyl)acetamide (CAS 1775404-17-5)
- Alofanib (RPT835) (CAS 1612888-66-0)
- N-(3-Fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]acetamide (CAS 1775485-31-8)
- PF-05085727 (CAS 1415637-72-7)
- Acibenzolar Acid Impurity 22 (CAS 124370-91-8)
- 2-(2-Furyl)-1,3-thiazole-4-carbonyl chloride (CAS 914637-72-2)
- 5-(2,5-Dichlorophenyl)pyrimidin-2-ol (CAS 1111103-83-3)
- 2-((2-Amino-4-(4H-1,2,4-triazol-4-yl)phenyl)amino)ethan-1-ol (CAS 1243779-24-9)
- 2-Phenylthiophene-3-carboxylic acid (CAS 38695-73-7)
- 2-[4-(tert-Butoxycarbonyl)-3,3-dimethyl-2-oxo-1-piperazinyl]acetic acid (CAS 1822800-93-0)
- 2,5-Dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrole-3-carbaldehyde (CAS 453557-49-8)
- Methacryloxypropyltriethoxysilane (CAS 21142-29-0)
- 2-Bromo-N-(isoxazol-3-yl)-N-methylacetamide (CAS 92947-24-5)
- Palmitoyl hexapeptide-6 (CAS 891498-01-4)
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