TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- (CAS 131338-52-8) is a chemical compound with molecular formula C23H15N3O4 and molecular weight 397.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-(4-hydroxyphenyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-, 2-((3,4-Dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-1H-isoindole-1,3(2H)-dione, 2-[[3-(4-hydroxyphenyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione, 2-{[3-(4-Hydroxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}-1H-isoindole-1,3(2H)-dione, BRN 4768515
| Molecular Formula | C23H15N3O4 |
| Molecular Weight | 397.10626 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.10626 Da |
| Heavy Atoms | 30 |
| Complexity | 734.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)O |
| InChIKey | BXSSTJJZXUWLST-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is 131338-52-8.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is C23H15N3O4.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is 397.10626 g/mol.
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