3-(5-Cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-1-phenylurea CAS 478249-42-2
| CAS No. | 478249-42-2 |
| Molecular Formula | C21H14F3N3OS |
| Molecular Weight | 413.42 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 3-(5-Cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-1-phenylurea.
3-(5-Cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-1-phenylurea (CAS 478249-42-2), molecular formula C21H14F3N3OS and molecular weight 413.42 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(5-Cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-1-phenylurea (C21H14F3N3OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 413.42 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), 3-(5-Cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)-1-phenylurea 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 | C21H14F3N3OS |
| Molecular Weight | 413.42 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| 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 Cyano Standards
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- Ethyl 5-cyano-2-phenyl-6-[4-(pyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate (CAS 477866-20-9)
- N-(5-cyano-2-((2,6-dichlorophenyl)thio)phenyl)-2-methylbenzamide (CAS 303147-53-7)
- Ethyl 5-cyano-6-(2,3-dichlorophenoxy)-2-phenylpyridine-3-carboxylate (CAS 306980-20-1)
- Ethyl 5-cyano-6-(2,4-dichlorophenoxy)-2-phenylpyridine-3-carboxylate (CAS 306980-18-7)
- 2-[5-[2-cyano-3-(dimethylamino)prop-2-enoyl]-3,4-dimethyl-thieno[2,3-b]thiophene-2-carbonyl]-3-(dimethylamino)prop-2-enenitrile (CAS 1191035-73-0)
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Recommended Standards
- 2-((2R,3R,4R,5S,6R)-4-(benzyloxy)-5-hydroxy-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione (CAS 97242-85-5)
- 3-[(2-Benzoyl-3-oxo-3-phenylprop-1-en-1-yl)amino]-5,6,7,8-tetrahydro-2H-chromene-2,5-dione (CAS 477888-25-8)
- 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)cyclohexyl]thiourea (CAS 851477-20-8)
- 4-(3-Formyl-4-methoxyphenyl)-1-methoxyisoquinolin-5-yl benzoate (CAS 651030-51-2)
- 2,2-Dimethyl-5-((p-tolylthio)methylene)-1,3-dioxane-4,6-dione (CAS 477866-25-4)
- 2-(3-Chlorophenyl)piperidine hydrochloride (CAS 1187172-75-3)
- 4-(5-(3,4-Diethoxyphenyl)-1H-1,2,4-triazol-3-yl)aniline (CAS 1416343-99-1)
- Methyl (3s)-3-amino-3-(4-chlorophenyl)propanoate hydrochloride (CAS 1217775-76-2)
- Linezolid Impurity 57 (CAS 477846-96-1)
- 1-(2-Amino-5-fluorophenyl)-2,2,2-trifluoroethanone (CAS 214288-07-0)
- 3-Fluoro-3'-formyl-[1,1'-biphenyl]-2-carbonitrile (CAS 1242340-05-1)
- Methyl 3-(Cyclopropylamino)propanoate (CAS 77497-84-8)
- 2-Amino-5-((methylthio)methyl)thiophene-3-carboxamide (CAS 2163772-34-5)
- Mast Cell Degranulating Peptide HR-1 (CAS 80533-94-4)
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