2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-N-(3-(trifluoromethyl)benzyl)propanamide CAS 478040-94-7
| CAS No. | 478040-94-7 |
| Molecular Formula | C23H24F3N3O3S |
| Molecular Weight | 479.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-N-(3-(trifluoromethyl)benzyl)propanamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-N-(3-(trifluoromethyl)benzyl)propanamide (CAS 478040-94-7), molecular formula C23H24F3N3O3S and molecular weight 479.52 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C23H24F3N3O3S, 2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-N-(3-(trifluoromethyl)benzyl)propanamide contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 479.52 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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 | C23H24F3N3O3S |
| Molecular Weight | 479.52 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Dioxidothiomorpholino Standards
- 2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CAS 478040-56-1)
- N'-(2-(1,1-dioxidothiomorpholino)-3-(1H-indol-3-yl)propanoyl)-4-(trifluoromethyl)benzohydrazide (CAS 478040-74-3)
- 2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-N-(4-methoxybenzyl)propanamide (CAS 478040-65-2)
- 2-(1,1-Dioxidothiomorpholino)-2-phenylethyl 3,4-dichlorobenzoate (CAS 338962-92-8)
- 2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-N-phenethylpropanamide (CAS 478040-67-4)
- 2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide (CAS 478040-66-3)
- (4-(1,1-Dioxidothiomorpholino)phenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone (CAS 478064-77-6)
- 2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-N-(pyridin-2-ylmethyl)propanamide (CAS 478040-54-9)
Recommended Standards
- Fmoc-Tyr(Ph)-OH (CAS 180414-93-1)
- 3-Amino-N-(2,4-dimethoxyphenyl)-6-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CAS 939893-77-3)
- Fmoc-Ala-Ala-Pro-OH (CAS 161220-53-7)
- 3-Amino-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide (CAS 664999-32-0)
- (R)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-ynoate (CAS 208709-76-6)
- 2,4-Dichloro-3-(dichloromethyl)-1,5-bis(trifluoromethyl)benzene (CAS 501657-11-0)
- Tert-butyl 6-chloro-3',6'-dihydro-[3,4'-bipyridine]-1'(2'H)-carboxylate (CAS 1169699-77-7)
- 1-(Selenophen-2-yl)ethanone (CAS 15429-03-5)
- N,N'-(1,3,4-Thiadiazole-2,5-diyl)diacetamide (CAS 31736-97-7)
- 7-Chloro-4-methyl-2,3-dihydro-1H-inden-1-one (CAS 58630-80-1)
- 1-Benzyl-2-oxo-1,2-dihydropyridine-3-carbohydrazide (CAS 242472-15-7)
- 2-(6-Hydroxyquinolin-3-yl)acetamide (CAS 1421601-97-9)
- Regorafenib Impurity N2 (CAS 1333390-56-9)
- Insulin Degludec Impurity 14 (CAS CATO-C4X-215714)
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