(E)-methyl 4-(2-(benzyloxy)-4-fluorophenyl)-2,6-diisopropyl-5-(prop-1-enyl)nicotinate CAS 503559-76-0
| CAS No. | 503559-76-0 |
| Molecular Formula | C29H32FNO3 |
| Molecular Weight | 461.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(E)-methyl 4-(2-(benzyloxy)-4-fluorophenyl)-2,6-diisopropyl-5-(prop-1-enyl)nicotinate (CAS 503559-76-0), molecular formula C29H32FNO3 and molecular weight 461.57 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (E)-methyl 4-(2-(benzyloxy)-4-fluorophenyl)-2,6-diisopropyl-5-(prop-1-enyl)nicotinate (C29H32FNO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 461.57 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), (E)-methyl 4-(2-(benzyloxy)-4-fluorophenyl)-2,6-diisopropyl-5-(prop-1-enyl)nicotinate 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 | C29H32FNO3 |
| Molecular Weight | 461.57 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azaheptadecan-17-yl 4-methylbenzenesulfonate (CAS 1818885-73-2)
- 4-(2-(4-(([1,3]Oxathiolo[5,4-c]pyridin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-6-ethylquinoline-3-carbonitrile (CAS 1352149-24-6)
- (4-Chlorophenyl)triphenylstannane (CAS 14064-18-7)
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