TL;DR: 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid (CAS 1024305-67-6) is a chemical compound with molecular formula C28H23N3O5 and molecular weight 481.16376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxyphenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
Also Known As: 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid, 1-(2-hydroxyphenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid, 3-(2-hydroxyphenyl)-1-(1H-indol-3-ylmethyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
| Molecular Formula | C28H23N3O5 |
| Molecular Weight | 481.16376 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.16376 Da |
| Heavy Atoms | 36 |
| Complexity | 890.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4O)(CC5=CNC6=CC=CC=C65)C(=O)O |
| InChIKey | WQBAYKGKHMVHQK-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid. Following Lipinski's Rule of Five, 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid has 4 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 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is 1024305-67-6.
The molecular formula of 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is C28H23N3O5.
The molecular weight of 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is 481.16376 g/mol.
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