TL;DR: 2'-benzoyl-5''-chloro-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione (CAS 1177984-54-1) is a chemical compound with molecular formula C28H22ClN3O3 and molecular weight 483.13498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 2'-benzoyl-5''-chloro-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione, 5''-chloro-2'-(phenylcarbonyl)-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
| Molecular Formula | C28H22ClN3O3 |
| Molecular Weight | 483.13498 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 483.13498 Da |
| Heavy Atoms | 35 |
| Complexity | 936.0 |
| SMILES | C1CC2C3(C(C4(N2C1)C5=C(C=CC(=C5)Cl)NC4=O)C(=O)C6=CC=CC=C6)C7=CC=CC=C7NC3=O |
| InChIKey | QUGCUCOKYHBCCE-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2'-benzoyl-5''-chloro-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-benzoyl-5''-chloro-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione. Following Lipinski's Rule of Five, 2'-benzoyl-5''-chloro-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione has 2 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 2'-benzoyl-5''-chloro-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione is 1177984-54-1.
The molecular formula of 2'-benzoyl-5''-chloro-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione is C28H22ClN3O3.
The molecular weight of 2'-benzoyl-5''-chloro-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione is 483.13498 g/mol.
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