3-(3,5-Bis(trifluoromethyl)phenyl)-1-(7'-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)-[1,1'-binaphthalen]-2-yl)-1-isopropylurea CAS 2227157-06-2
| CAS No. | 2227157-06-2 |
| Molecular Formula | C41H28F12N4O2 |
| Molecular Weight | 836.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(3,5-Bis(trifluoromethyl)phenyl)-1-(7'-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)-[1,1'-binaphthalen]-2-yl)-1-isopropylurea (CAS 2227157-06-2), molecular formula C41H28F12N4O2 and molecular weight 836.67 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(3,5-Bis(trifluoromethyl)phenyl)-1-(7'-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)-[1,1'-binaphthalen]-2-yl)-1-isopropylurea (C41H28F12N4O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 24.0, corresponding to approximately 24 ring(s) or double-bond equivalent(s). With a molecular weight of 836.67 g/mol, it falls into the high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C41H28F12N4O2 |
| Molecular Weight | 836.67 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) | 24.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Bis Standards
- 3-(3,5-Bis(trifluoromethyl)phenyl)-1-(2'-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)-[1,1'-binaphthalen]-2-yl)-1-isopropylurea (CAS 2227157-04-0)
- 6-(Trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS 1780-78-5)
- Bis((trifluoromethyl)sulfonyl)methane (CAS 428-76-2)
- 3-[[[3,5-Bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione (CAS 1353884-38-4)
- 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione (CAS 1542197-69-2)
- 5',5''''-((2,5-Bis(trifluoromethyl)-1,4-phenylene)bis(ethyne-2,1-diyl))bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)) (CAS 2476800-65-2)
- S-(4-(trifluoromethyl)benzyl) O-((2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-yl) (Z)-(4-(trifluoromethyl)phenyl)carbonimidothioate (CAS 468095-63-8)
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