TL;DR: 2'-[(2,4-dichlorophenyl)carbonyl]-5''-methyl-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione (CAS 1177701-64-2) is a chemical compound with molecular formula C29H23Cl2N3O3 and molecular weight 531.11163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 2'-[(2,4-dichlorophenyl)carbonyl]-5''-methyl-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione, 2'-[(2,4-dichlorophenyl)carbonyl]-5''-methyl-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
| Molecular Formula | C29H23Cl2N3O3 |
| Molecular Weight | 531.11163 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 | 531.11163 Da |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
| SMILES | CC1=CC2=C(C=C1)NC(=O)C23C(C4(C5N3CCC5)C6=CC=CC=C6NC4=O)C(=O)C7=C(C=C(C=C7)Cl)Cl |
| InChIKey | YCCPIQFTOOLLBA-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 2'-[(2,4-dichlorophenyl)carbonyl]-5''-methyl-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'-[(2,4-dichlorophenyl)carbonyl]-5''-methyl-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'-[(2,4-dichlorophenyl)carbonyl]-5''-methyl-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), which may warrant consideration for formulation optimization.
The CAS number of 2'-[(2,4-dichlorophenyl)carbonyl]-5''-methyl-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione is 1177701-64-2.
The molecular formula of 2'-[(2,4-dichlorophenyl)carbonyl]-5''-methyl-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione is C29H23Cl2N3O3.
The molecular weight of 2'-[(2,4-dichlorophenyl)carbonyl]-5''-methyl-1,1'',2,2'',5',6',7',7'a-octahydro-2'H-dispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''-dione is 531.11163 g/mol.
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