N-[(1E)-1,2-Dicyano-2-(2,5-dimethyl-1H-pyrrol-1-yl)eth-1-en-1-yl]-4-fluorobenzamide CAS 860789-63-5
| CAS No. | 860789-63-5 |
| Molecular Formula | C17H13FN4O |
| Molecular Weight | 308.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-[(1E)-1,2-Dicyano-2-(2,5-dimethyl-1H-pyrrol-1-yl)eth-1-en-1-yl]-4-fluorobenzamide (CAS 860789-63-5), molecular formula C17H13FN4O and molecular weight 308.31 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of N-[(1E)-1,2-Dicyano-2-(2,5-dimethyl-1H-pyrrol-1-yl)eth-1-en-1-yl]-4-fluorobenzamide (C17H13FN4O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
As a certified reference material (CRM), N-[(1E)-1,2-Dicyano-2-(2,5-dimethyl-1H-pyrrol-1-yl)eth-1-en-1-yl]-4-fluorobenzamide 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 | C17H13FN4O |
| Molecular Weight | 308.31 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
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