N-(4-chloro-2-fluorophenyl)-2-(1,1-dioxidothiomorpholino)-3-(1H-indol-3-yl)propanamide CAS 477889-68-2
| CAS No. | 477889-68-2 |
| Molecular Formula | C21H21ClFN3O3S |
| Molecular Weight | 449.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including N-(4-chloro-2-fluorophenyl)-2-(1,1-dioxidothiomorpholino)-3-(1H-indol-3-yl)propanamide.
N-(4-chloro-2-fluorophenyl)-2-(1,1-dioxidothiomorpholino)-3-(1H-indol-3-yl)propanamide (CAS 477889-68-2), molecular formula C21H21ClFN3O3S and molecular weight 449.93 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(4-chloro-2-fluorophenyl)-2-(1,1-dioxidothiomorpholino)-3-(1H-indol-3-yl)propanamide (C21H21ClFN3O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 449.93 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.
As a certified reference material (CRM), N-(4-chloro-2-fluorophenyl)-2-(1,1-dioxidothiomorpholino)-3-(1H-indol-3-yl)propanamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H21ClFN3O3S |
| Molecular Weight | 449.93 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/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 6-Hydroxy-3-phenyl-2-(trifluoromethyl)pyridine (CAS 1214380-66-1)
- 2-(2-(Bromomethyl)pentyl)furan (CAS 1487919-98-1)
- 2,2-Dichloro-1,1-bis(4-chlorophenyl)-2-fluoroethanol (CAS 1868-91-3)
- 1-[(2,4-Dichlorophenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)-1,2-dihydropyridine-3-carboxamide (CAS 320419-68-9)
- 3-(2,2-Difluoroethoxy)-1-methyl-4-nitro-1H-pyrazole (CAS 1429417-96-8)
- Methyl 3-bromo-2-cyano-5-fluorobenzoate (CAS 1806848-58-7)
- Pantoprazole Impurity 78 (CAS CATO-C4X-139978)
- 1-((4-Bromo-2,6-dimethylphenyl)sulfonyl)-4-methylpiperazine (CAS 304668-36-8)
- 4-Methyl-3-pivalamidobenzoic acid (CAS 915923-72-7)
- Semaglutide impurity 01 (CAS 1998701-31-7)
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