N-Ethyl-2-(5-(hydroxymethyl)-2-((3-(trifluoromethyl)benzyl)thio)-1H-imidazol-1-yl)acetamide CAS 921794-22-1
| CAS No. | 921794-22-1 |
| Molecular Formula | C16H18F3N3O2S |
| Molecular Weight | 373.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-Ethyl-2-(5-(hydroxymethyl)-2-((3-(trifluoromethyl)benzyl)thio)-1H-imidazol-1-yl)acetamide (CAS 921794-22-1), molecular formula C16H18F3N3O2S and molecular weight 373.39 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-Ethyl-2-(5-(hydroxymethyl)-2-((3-(trifluoromethyl)benzyl)thio)-1H-imidazol-1-yl)acetamide (C16H18F3N3O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 373.39 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
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.
Physical & Chemical Properties
| Molecular Formula | C16H18F3N3O2S |
| Molecular Weight | 373.39 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
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- Lansoprazole-d4 (CAS 934294-22-1)
- 2,6-Difluoro-N-(4-(((4-fluorophenyl)thio)methyl)phenyl)benzamide (CAS 338398-69-9)
- Dexlansoprazole-d4 (CAS CATO-C4X-16128)
- Bz-Arg-OH (CAS 154-92-7)
- 4-(2,4-Dimethoxy-3-methylbenzylidene)-2-phenyloxazol-5(4H)-one (CAS 7149-86-2)
- 1-(tert-Butoxycarbonyl)-4,4-difluoropiperidine-2-carboxylic acid (CAS 661458-34-0)
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- N-methylspiro[3.3]Heptan-1-amine (CAS 933683-02-4)
- 2-Methoxy-4-phenylbenzoic acid (CAS 175153-18-1)
- 5-Amino-2-(p-tolyl)isoindoline-1,3-dione (CAS 20871-06-1)
- 9-Fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine (CAS 1185110-93-3)
- Tirzepatide Impurity 52 (CAS CATO-C4X-324052)
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