TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- (CAS 134700-40-6) is a chemical compound with molecular formula C28H25BrN4O4 and molecular weight 560.1059 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[6-bromo-3-[3-(diethylaminomethyl)-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-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-, 2-[[6-bromo-3-[3-(diethylaminomethyl)-4-hydroxyphenyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione,2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl), 2-[(6-Bromo-3-{3-[(diethylamino)methyl]-4-hydroxyphenyl}-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione, BRN 4773721
| Molecular Formula | C28H25BrN4O4 |
| Molecular Weight | 560.1059 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 560.1059 Da |
| Heavy Atoms | 37 |
| Complexity | 900.0 |
| SMILES | CCN(CC)CC1=C(C=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CN4C(=O)C5=CC=CC=C5C4=O)O |
| InChIKey | QKNAEJPIYXJCDH-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 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-(3-((diethylamino)methyl)-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-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is 134700-40-6.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is C28H25BrN4O4.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- is 560.1059 g/mol.
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