TL;DR: 2,6-Bis-(3-hydroxy-propyl)-pyrrolo(3,4-F)isoindole-1,3,5,7-tetraone (CAS 13111-78-9) is a chemical compound with molecular formula C16H16N2O6 and molecular weight 332.10083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-bis(3-hydroxypropyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
Also Known As: 2,6-Bis(3-hydroxypropyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone, AN-979/13513046, 2,6-bis(3-hydroxypropyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, 2,6-bis(3-hydroxypropyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone, 2,6-BIS-(3-HYDROXY-PROPYL)-PYRROLO(3,4-F)ISOINDOLE-1,3,5,7-TETRAONE
| Molecular Formula | C16H16N2O6 |
| Molecular Weight | 332.10083 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.10083 Da |
| Heavy Atoms | 24 |
| Complexity | 487.0 |
| SMILES | C1=C2C(=CC3=C1C(=O)N(C3=O)CCCO)C(=O)N(C2=O)CCCO |
| InChIKey | VBMAVLURMSVYGC-UHFFFAOYSA-N |
The XLogP value of -0.8 indicates that 2,6-Bis-(3-hydroxy-propyl)-pyrrolo(3,4-F)isoindole-1,3,5,7-tetraone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis-(3-hydroxy-propyl)-pyrrolo(3,4-F)isoindole-1,3,5,7-tetraone. Following Lipinski's Rule of Five, 2,6-Bis-(3-hydroxy-propyl)-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-(3-hydroxy-propyl)-pyrrolo(3,4-F)isoindole-1,3,5,7-tetraone is 13111-78-9.
The molecular formula of 2,6-Bis-(3-hydroxy-propyl)-pyrrolo(3,4-F)isoindole-1,3,5,7-tetraone is C16H16N2O6.
The molecular weight of 2,6-Bis-(3-hydroxy-propyl)-pyrrolo(3,4-F)isoindole-1,3,5,7-tetraone is 332.10083 g/mol.
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