Ethyl 2-amino-3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}propanoate; trifluoroacetic acid CAS 1078603-66-3
| CAS No. | 1078603-66-3 |
| Molecular Formula | C13H17BrNO3S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 2-amino-3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}propanoate; trifluoroacetic acid (CAS 1078603-66-3), molecular formula C13H17BrNO3SC2F3O2 and molecular weight 460.26 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 2-amino-3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}propanoate; trifluoroacetic acid (C13H17BrNO3SC2F3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 460.26 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C13H17BrNO3S C2F3O2 |
| Molecular Weight | 460.26 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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