TL;DR: Tryptoquivalone (CAS 55387-46-7) is a chemical compound with molecular formula C26H24N4O6 and molecular weight 488.1696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-2-methyl-3'-[2-(2-methylpropanoyl)-4-oxoquinazolin-3-yl]spiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
Also Known As: Tryptoquivalone, 1'-hydroxy-2'-methyl-4-[2-(2-methylpropanoyl)-4-oxoquinazolin-3(4h)-yl]-1',9a'-dihydro-3h-spiro[furan-2,9'-imidazo[1,2-a]indole]-3',5(2'h,4h)-dione, 1-Hydroxy-2-methyl-4'-[2-(2-methylpropanoyl)-4-oxoquinazolin-3(4H)-yl]-1,9a-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-3,5'(2H)-dione, 3-hydroxy-2-methyl-3'-[2-(2-methylpropanoyl)-4-oxoquinazolin-3-yl]spiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
| Molecular Formula | C26H24N4O6 |
| Molecular Weight | 488.1696 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 488.1696 Da |
| Heavy Atoms | 36 |
| Complexity | 1040.0 |
| SMILES | CC1C(=O)N2C(N1O)C3(CC(C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(=O)C(C)C)C6=CC=CC=C62 |
| InChIKey | KKKXNFWTLBZDAQ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tryptoquivalone. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tryptoquivalone. Following Lipinski's Rule of Five, Tryptoquivalone has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Tryptoquivalone is 55387-46-7.
The molecular formula of Tryptoquivalone is C26H24N4O6.
The molecular weight of Tryptoquivalone is 488.1696 g/mol.
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