TL;DR: (3aR,4S,8aS,8bS)-2-(3,5-dichlorophenyl)-1'-ethylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione (CAS 1013758-10-5) is a chemical compound with molecular formula C24H21Cl2N3O3 and molecular weight 469.096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,4S,8aS,8bS)-2-(3,5-dichlorophenyl)-1'-ethylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione
Also Known As: (3aR,4S,8aS,8bS)-2-(3,5-dichlorophenyl)-1'-ethylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione, (3S,3a'R,8a'S,8b'S)-2'-(3,5-dichlorophenyl)-1-ethyl-6',7',8',8a'-tetrahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(2'H,3a'H,8b'H)-trione
| Molecular Formula | C24H21Cl2N3O3 |
| Molecular Weight | 469.096 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 469.096 Da |
| Heavy Atoms | 32 |
| Complexity | 844.0 |
| SMILES | CCN1C2=CC=CC=C2[C@]3(C1=O)[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=CC(=CC(=C6)Cl)Cl |
| InChIKey | OOGVVLACMFNPTO-CMCWBKRRSA-N |
The XLogP value of 3.4 indicates that (3aR,4S,8aS,8bS)-2-(3,5-dichlorophenyl)-1'-ethylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4S,8aS,8bS)-2-(3,5-dichlorophenyl)-1'-ethylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione. Following Lipinski's Rule of Five, (3aR,4S,8aS,8bS)-2-(3,5-dichlorophenyl)-1'-ethylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione has 0 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 (3aR,4S,8aS,8bS)-2-(3,5-dichlorophenyl)-1'-ethylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione is 1013758-10-5.
The molecular formula of (3aR,4S,8aS,8bS)-2-(3,5-dichlorophenyl)-1'-ethylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione is C24H21Cl2N3O3.
The molecular weight of (3aR,4S,8aS,8bS)-2-(3,5-dichlorophenyl)-1'-ethylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione is 469.096 g/mol.
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