TL;DR: 7-chloro-2'-(2,5-dichlorophenyl)-5-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione (CAS 1217631-23-6) is a chemical compound with molecular formula C23H18Cl3N3O3 and molecular weight 489.04138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-2'-(2,5-dichlorophenyl)-5-methylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
Also Known As: 7-chloro-2'-(2,5-dichlorophenyl)-5-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione, 7-chloro-2'-(2,5-dichlorophenyl)-5-methylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
| Molecular Formula | C23H18Cl3N3O3 |
| Molecular Weight | 489.04138 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 489.04138 Da |
| Heavy Atoms | 32 |
| Complexity | 873.0 |
| SMILES | CC1=CC2=C(C(=C1)Cl)NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C=CC(=C6)Cl)Cl |
| InChIKey | KPDRMPVLXMQCKG-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 7-chloro-2'-(2,5-dichlorophenyl)-5-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-2'-(2,5-dichlorophenyl)-5-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione. Following Lipinski's Rule of Five, 7-chloro-2'-(2,5-dichlorophenyl)-5-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-chloro-2'-(2,5-dichlorophenyl)-5-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione is 1217631-23-6.
The molecular formula of 7-chloro-2'-(2,5-dichlorophenyl)-5-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione is C23H18Cl3N3O3.
The molecular weight of 7-chloro-2'-(2,5-dichlorophenyl)-5-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione is 489.04138 g/mol.
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