TL;DR: 3-((1'R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-(2-(trifluoromethyl)phenyl)-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide (CAS 1014069-41-0) is a chemical compound with molecular formula C23H19F3N4O4 and molecular weight 472.13583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1S,3R,3aR,6aS)-2',4,6-trioxo-5-[2-(trifluoromethyl)phenyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide
Also Known As: 3-((1'R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-(2-(trifluoromethyl)phenyl)-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide, 3-[(1S,3R,3aR,6aS)-2',4,6-trioxo-5-[2-(trifluoromethyl)phenyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide, 3-{(3R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-[2-(trifluoromethyl)phenyl]-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl}propanamide
| Molecular Formula | C23H19F3N4O4 |
| Molecular Weight | 472.13583 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.13583 Da |
| Heavy Atoms | 34 |
| Complexity | 911.0 |
| SMILES | C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H](N3)CCC(=O)N)C(=O)N(C4=O)C5=CC=CC=C5C(F)(F)F)C(=O)N2 |
| InChIKey | PNLCAMBGKHSVRN-TVZIFOOBSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((1'R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-(2-(trifluoromethyl)phenyl)-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1'R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-(2-(trifluoromethyl)phenyl)-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide. Following Lipinski's Rule of Five, 3-((1'R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-(2-(trifluoromethyl)phenyl)-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-((1'R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-(2-(trifluoromethyl)phenyl)-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide is 1014069-41-0.
The molecular formula of 3-((1'R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-(2-(trifluoromethyl)phenyl)-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide is C23H19F3N4O4.
The molecular weight of 3-((1'R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-(2-(trifluoromethyl)phenyl)-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide is 472.13583 g/mol.
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