Methyl 4-[3-(thiophen-2-yl)-3-(2,2,2-trifluoroacetamido)propanamido]benzoate CAS 861209-43-0
| CAS No. | 861209-43-0 |
| Molecular Formula | C17H15F3N2O4S |
| Molecular Weight | 400.37 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.
CATO supplies Methyl 4-[3-(thiophen-2-yl)-3-(2,2,2-trifluoroacetamido)propanamido]benzoate (CAS 861209-43-0), a certified reference material (molecular formula C17H15F3N2O4S, MW 400.37 g/mol) for analytical method development and quality control.
Structurally, Methyl 4-[3-(thiophen-2-yl)-3-(2,2,2-trifluoroacetamido)propanamido]benzoate (C17H15F3N2O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 400.37 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C17H15F3N2O4S |
| Molecular Weight | 400.37 g/mol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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