4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-2-[(4-fluorophenyl)methyl]-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione CAS 1775353-05-3
| CAS No. | 1775353-05-3 |
| Molecular Formula | C20H21FN4O3 |
| Molecular Weight | 384.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-2-[(4-fluorophenyl)methyl]-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione 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.
4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-2-[(4-fluorophenyl)methyl]-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione (CAS 1775353-05-3) is a high-purity analytical reference standard with the molecular formula C20H21FN4O3 and a molecular weight of 384.40 g/mol.
Structurally, 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-2-[(4-fluorophenyl)methyl]-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione (C20H21FN4O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 384.40 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-2-[(4-fluorophenyl)methyl]-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione 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 | C20H21FN4O3 |
| Molecular Weight | 384.40 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
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