1-[3,5-Bis(trifluoromethyl)phenyl)-3-{(S)(6-methoxy-4-quinolinyl)-[(2S,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]methyl}thiourea 852913-16-7 N-[3,5-Bis(trifluoromethyl)phenyl]-N inverted exclamation marka-[(8a,9S)-6 inverted exclamation marka-methoxy-9-cinchonanyl]thiourea epi-N-Quinyl-N inverted exclamation marka-bis(3,5-trifluoromethyl)phenylthiourea CAS 852913-16-7
| CAS No. | 852913-16-7 |
| Molecular Formula | C29H44F6N4OS |
| Molecular Weight | 610.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO supplies 1-[3,5-Bis(trifluoromethyl)phenyl)-3-{(S)(6-methoxy-4-quinolinyl)-[(2S,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]methyl}thiourea 852913-16-7 N-[3,5-Bis(trifluoromethyl)phenyl]-N inverted exclamation marka-[(8a,9S)-6 inverted exclamation marka-methoxy-9-cinchonanyl]thiourea epi-N-Quinyl-N inverted exclamation marka-bis(3,5-trifluoromethyl)phenylthiourea (CAS 852913-16-7), a certified reference material (molecular formula C29H44F6N4OS, MW 610.74 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, 1-[3,5-Bis(trifluoromethyl)phenyl)-3-{(S)(6-methoxy-4-quinolinyl)-[(2S,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]methyl}thiourea 852913-16-7 N-[3,5-Bis(trifluoromethyl)phenyl]-N inverted exclamation marka-[(8a,9S)-6 inverted exclamation marka-methoxy-9-cinchonanyl]thiourea epi-N-Quinyl-N inverted exclamation marka-bis(3,5-trifluoromethyl)phenylthiourea is typically off-white to pale yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 610.74 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 1-[3,5-Bis(trifluoromethyl)phenyl)-3-{(S)(6-methoxy-4-quinolinyl)-[(2S,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]methyl}thiourea 852913-16-7 N-[3,5-Bis(trifluoromethyl)phenyl]-N inverted exclamation marka-[(8a,9S)-6 inverted exclamation marka-methoxy-9-cinchonanyl]thiourea epi-N-Quinyl-N inverted exclamation marka-bis(3,5-trifluoromethyl)phenylthiourea 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 | C29H44F6N4OS |
| Molecular Weight | 610.74 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Bis Standards
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- 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(9R)-10,11-dihydrocinchonan-9-yl]amino]-3-cyclobutene-1,2-dione (CAS 1407166-64-6)
- 3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((1R,2R)-2-(dibenzylamino)cyclohexyl)amino)cyclobut-3-ene-1,2-dione (CAS 1223105-91-6)
- 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((1S,2S)-2-(dibenzylamino)cyclohexyl)amino)cyclobut-3-ene-1,2-dione (CAS 1623099-31-9)
- 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[(9R)-cinchonan-9-ylamino]-3-cyclobutene-1,2-dione (CAS 1256245-82-5)
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