TL;DR: 5''-methyl-2'-[(3-nitrophenyl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione (CAS 1177938-78-1) is a chemical compound with molecular formula C29H24N4O5 and molecular weight 508.17468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 5''-methyl-2'-[(3-nitrophenyl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione, 5''-methyl-2'-[(3-nitrophenyl)carbonyl]-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
| Molecular Formula | C29H24N4O5 |
| Molecular Weight | 508.17468 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 508.17468 Da |
| Heavy Atoms | 38 |
| Complexity | 1060.0 |
| SMILES | CC1=CC2=C(C=C1)NC(=O)C23C(C4(C5N3CCC5)C6=CC=CC=C6NC4=O)C(=O)C7=CC(=CC=C7)[N+](=O)[O-] |
| InChIKey | JRXNTGVUXRNFSS-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 5''-methyl-2'-[(3-nitrophenyl)carbonyl]-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 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5''-methyl-2'-[(3-nitrophenyl)carbonyl]-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, 5''-methyl-2'-[(3-nitrophenyl)carbonyl]-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 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5''-methyl-2'-[(3-nitrophenyl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione is 1177938-78-1.
The molecular formula of 5''-methyl-2'-[(3-nitrophenyl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione is C29H24N4O5.
The molecular weight of 5''-methyl-2'-[(3-nitrophenyl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione is 508.17468 g/mol.
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