TL;DR: 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 1005042-03-4) is a chemical compound with molecular formula C33H27N3O3 and molecular weight 513.20526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 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 | C33H27N3O3 |
| Molecular Weight | 513.20526 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 513.20526 Da |
| Heavy Atoms | 39 |
| Complexity | 1060.0 |
| SMILES | CC1=C2C(=CC=C1)C3(C(=O)N2)C4(C(C5N3CCC5)C(=O)C6=CC7=CC=CC=C7C=C6)C8=CC=CC=C8NC4=O |
| InChIKey | HTVNOZMEKLYJJG-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 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 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, 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 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 1005042-03-4.
The molecular formula of 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 C33H27N3O3.
The molecular weight of 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 513.20526 g/mol.
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