TL;DR: 5''-chloro-7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione (CAS 1212319-15-7) is a chemical compound with molecular formula C33H26ClN3O3 and molecular weight 547.16626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 5''-chloro-7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione
| Molecular Formula | C33H26ClN3O3 |
| Molecular Weight | 547.16626 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 547.16626 Da |
| Heavy Atoms | 40 |
| Complexity | 1100.0 |
| SMILES | CC1=CC(=CC2=C1NC(=O)C23C4(C(C5N3CCC5)C(=O)C6=CC7=CC=CC=C7C=C6)C8=CC=CC=C8NC4=O)Cl |
| InChIKey | WPPQNQIKKSVHIQ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 5''-chloro-7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-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 5''-chloro-7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione. Following Lipinski's Rule of Five, 5''-chloro-7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5''-chloro-7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione is 1212319-15-7.
The molecular formula of 5''-chloro-7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione is C33H26ClN3O3.
The molecular weight of 5''-chloro-7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione is 547.16626 g/mol.
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