Ethyl 1-(cyclohexylcarbamoyl)-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate CAS 318237-94-4
| CAS No. | 318237-94-4 |
| Molecular Formula | C22H23F3N4O5 |
| Molecular Weight | 480.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Ethyl 1-(cyclohexylcarbamoyl)-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 318237-94-4) is a high-purity analytical reference standard with the molecular formula C22H23F3N4O5 and a molecular weight of 480.44 g/mol.
Based on its molecular formula C22H23F3N4O5, Ethyl 1-(cyclohexylcarbamoyl)-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 480.44 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C22H23F3N4O5 |
| Molecular Weight | 480.44 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
- 8-(4-Bromophenyl)-hexahydro-4-pentyl-4H-benzo[ij]cyclopenta[b]quinolizine-2-carboxylic acid (CAS 312713-60-3)
- SR-3029 (CAS 1454585-06-8)
- 4-nitro-N-[3-oxo-3-(4-{[4-(trifluoromethoxy)phenyl]methyl}piperazin-1-yl)propyl]benzamide (CAS 1795507-47-9)
- 1-(3-(1H-Imidazol-1-yl)propyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 618072-93-8)
- (1S,7AR)-3-oxohexahydro-1H-pyrrolizine-1-carbaldehyde (CAS 146405-72-3)
- 1-(4-Chloro-3-fluorophenyl)-3-(2-methoxyphenyl)propan-1-one (CAS 898770-15-5)
- 2-(Difluoromethyl)-3-hydroxy-5-methoxy-4-(trifluoromethyl)pyridine (CAS 1807002-06-7)
- 1-(3-Phenoxypropyl)azetidin-3-ol (CAS 1339215-21-2)
- (R)-N-Cyclopropyl-N-(pyrrolidin-3-yl)acetamide (CAS 1353997-00-8)
- (E)-(2-(Diethylamino)vinyl)diphenylphosphine oxide (CAS 89217-96-9)
- Methyl4-bromo-3-chloro-5-(trifluoromethoxy)benzoate (CAS 1433280-61-5)
- 1,4-Dimethyl-6-nitro-1,4-dihydroquinoxaline-2,3-dione (CAS 13784-21-9)
- 5-Isopropylindoline (CAS 65826-96-2)
- D-Ala28-Tirzepatide (CAS CATO-CPTD788906)
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