TL;DR: 2,6-Bis-(4-hydroxy-phenyl)-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone (CAS 14027-98-6) is a chemical compound with molecular formula C22H12N2O6 and molecular weight 400.06955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-bis(4-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
Also Known As: BAS 00260747, 2,6-Bis-(4-hydroxy-phenyl)-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone, 2,6-bis(4-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone, 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(p-hydroxyphenyl)-, N,N -Bis(4-hydroxyphenyl)-1,2:4,5-benzenebis(dicarbimide)
| Molecular Formula | C22H12N2O6 |
| Molecular Weight | 400.06955 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.06955 Da |
| Heavy Atoms | 30 |
| Complexity | 664.0 |
| SMILES | C1=CC(=CC=C1N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)C5=CC=C(C=C5)O)O |
| InChIKey | WDDZBXNHZJPBKS-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Bis-(4-hydroxy-phenyl)-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis-(4-hydroxy-phenyl)-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone. Following Lipinski's Rule of Five, 2,6-Bis-(4-hydroxy-phenyl)-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone has 2 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 2,6-Bis-(4-hydroxy-phenyl)-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone is 14027-98-6.
The molecular formula of 2,6-Bis-(4-hydroxy-phenyl)-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone is C22H12N2O6.
The molecular weight of 2,6-Bis-(4-hydroxy-phenyl)-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone is 400.06955 g/mol.
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