3-(4-Fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4-one CAS 687580-78-5
| CAS No. | 687580-78-5 |
| Molecular Formula | C17H15FN2O2 |
| Molecular Weight | 298.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(4-Fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4-one (CAS 687580-78-5) is a high-purity analytical reference standard with the molecular formula C17H15FN2O2 and a molecular weight of 298.31 g/mol.
Structurally, 3-(4-Fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4-one (C17H15FN2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 298.31 g/mol, it falls into the medium-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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 3-(4-Fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H15FN2O2 |
| Molecular Weight | 298.31 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, keep tightly closed to prevent evaporation |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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- Propyl 2-(4-fluorophenyl)-1H-benzo[d]imidazole-6-carboxylate (CAS 1416342-61-4)
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- (4-Fluorophenyl)(5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl)methanamine (CAS 1707373-14-5)
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Recommended Standards
- 3-(2-Acetamidoethyl)-1H-indol-5-yl hydrogen sulfate (CAS 94840-68-3)
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- 2-Cyano-N-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide (CAS 483359-43-9)
- 3-Fluoro-N-(3-(2-oxopyrrolidin-1-yl)phenyl)benzamide (CAS 941933-71-7)
- 2-(2-((6-(((5-fluoro-6-methylpyridin-2-yl)oxy)methyl)-2-methylazepan-1-yl)methyl)-4-methylphenyl)oxazole (CAS 1224374-06-4)
- N-(4-Amino-2-methylphenyl)methanesulfonamide (CAS 57165-01-2)
- 6-Amino-5-methoxypicolinic acid (CAS 2089378-10-7)
- 2-(Carboxymethyl)-6-iodobenzoic acid (CAS 1215094-78-2)
- Promethazine Impurity 22 (CAS 37143-56-9)
- 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-dichlorophenyl)acetamide (CAS 720667-96-9)
- 2-Amino-6-chloro-5-iodopyrimidin-4(1H)-one (CAS 58331-11-6)
- Ethyl 2-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-4-(trifluoromethyl)thiazole-5-carboxylate (CAS 1823188-05-1)
- 2-(1-(5-Isopropylfuran-2-yl)butyl)cyclohexanone (CAS 89225-12-7)
- D-Ser32-Tirzepatide (CAS CATO-CPTD788677)
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