TL;DR: 3''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-phenyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione (CAS 1166390-65-3) is a chemical compound with molecular formula C26H23N3O3S2 and molecular weight 489.11807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 3''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-phenyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione, 4''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-phenyl-5''-sulfanylidene-1,2-dihydrodispiro[indole-3,2'-pyrrolidine-3',2''-[1,4]thiazolidine]-2,3''-dione
| Molecular Formula | C26H23N3O3S2 |
| Molecular Weight | 489.11807 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.11807 Da |
| Heavy Atoms | 34 |
| Complexity | 879.0 |
| SMILES | CN1CC(C2(C13C4=CC=CC=C4N(C3=O)C)C(=O)N(C(=S)S2)CC5=CC=CO5)C6=CC=CC=C6 |
| InChIKey | MPVNNLAKGHBISK-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 3''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-phenyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-phenyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione. Following Lipinski's Rule of Five, 3''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-phenyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-phenyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione is 1166390-65-3.
The molecular formula of 3''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-phenyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione is C26H23N3O3S2.
The molecular weight of 3''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-phenyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione is 489.11807 g/mol.
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