Ac-Trp-3,5-bis(trifluoromethyl)benzyl ester CAS 148451-96-1
| CAS No. | 148451-96-1 |
| Molecular Formula | C22H18F6N2O3 |
| Molecular Weight | 472.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ac-Trp-3,5-bis(trifluoromethyl)benzyl ester is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ac-Trp-3,5-bis(trifluoromethyl)benzyl ester (CAS 148451-96-1), molecular formula C22H18F6N2O3 and molecular weight 472.38 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, Ac-Trp-3,5-bis(trifluoromethyl)benzyl ester is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 472.38 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures Ac-Trp-3,5-bis(trifluoromethyl)benzyl ester 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 | C22H18F6N2O3 |
| Molecular Weight | 472.38 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | >95% |
| 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.) | 1999 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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