TL;DR: 1'-{[4-(prop-2-en-1-yloxy)phenyl]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 1024323-86-1) is a chemical compound with molecular formula C31H27N3O4 and molecular weight 505.20016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 1'-{[4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione, CID 4891806
| Molecular Formula | C31H27N3O4 |
| Molecular Weight | 505.20016 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.20016 Da |
| Heavy Atoms | 38 |
| Complexity | 1010.0 |
| SMILES | C=CCOC1=CC=C(C=C1)C(=O)C2C3CCCN3C4(C25C6=CC=CC=C6NC5=O)C7=CC=CC=C7NC4=O |
| InChIKey | DWDPYYVDAOVSMO-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 1'-{[4-(prop-2-en-1-yloxy)phenyl]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 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-{[4-(prop-2-en-1-yloxy)phenyl]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, 1'-{[4-(prop-2-en-1-yloxy)phenyl]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 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1'-{[4-(prop-2-en-1-yloxy)phenyl]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 1024323-86-1.
The molecular formula of 1'-{[4-(prop-2-en-1-yloxy)phenyl]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 C31H27N3O4.
The molecular weight of 1'-{[4-(prop-2-en-1-yloxy)phenyl]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 505.20016 g/mol.
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