TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- (CAS 131338-51-7) is a chemical compound with molecular formula C23H14BrN3O4 and molecular weight 475.01678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[6-bromo-3-(4-hydroxyphenyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-, 2-[[6-bromo-3-(4-hydroxyphenyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione, 2-{[6-Bromo-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}-1H-isoindole-1,3(2H)-dione, BRN 4769649
| Molecular Formula | C23H14BrN3O4 |
| Molecular Weight | 475.01678 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.01678 Da |
| Heavy Atoms | 31 |
| Complexity | 770.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=C(C=C(C=C4)Br)C(=O)N3C5=CC=C(C=C5)O |
| InChIKey | PQKIWFBYWZFVLX-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-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-((6-bromo-3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is 131338-51-7.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is C23H14BrN3O4.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is 475.01678 g/mol.
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