N-(4-Chloro-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 1775547-55-1
| CAS No. | 1775547-55-1 |
| Molecular Formula | C20H19ClFN5O4 |
| Molecular Weight | 447.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 447.85 g/mol gives N-(4-Chloro-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 distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N-(4-Chloro-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 1775547-55-1) is a high-purity analytical reference standard with the molecular formula C20H19ClFN5O4 and a molecular weight of 447.85 g/mol.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, N-(4-Chloro-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 is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 447.85 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C20H19ClFN5O4 |
| Molecular Weight | 447.85 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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/Cl-containing |
| Nitrogen Atoms | 5 |
Related N Standards
- N-(3-Chloro-4-fluorophenyl)-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]acetamide (CAS 1775335-97-1)
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- (R)-6-(3-Chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 1177256-05-1)
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Recommended Standards
- 2-(Methacryloyloxy)ethyl 6-amino-4-(3-chloro-4-nitrophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 939893-89-7)
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- 4,5-Dimethoxy-1-indanone (CAS 6342-80-9)
- 5-Bromo-2-bromomethyl-4-methoxy-benzoic acid methyl ester (CAS 1965310-34-2)
- 2-(Pyrimidin-2-yl)-2,6-diazaspiro[3.3]Heptane (CAS 1431868-79-9)
- 4-Iodo-1-methylpyridin-2(1H)-one (CAS 889865-47-8)
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