TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-4-oxo-2-quinazolinyl)methyl)- (CAS 134700-44-0) is a chemical compound with molecular formula C29H25IN4O4 and molecular weight 620.09204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-6-iodo-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-4-oxo-2-quinazolinyl)methyl)-, 2-[(3-{4-Hydroxy-3-[(piperidin-1-yl)methyl]phenyl}-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione, 2-[[3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-6-iodo-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione, BRN 4774270
| Molecular Formula | C29H25IN4O4 |
| Molecular Weight | 620.09204 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 620.09204 Da |
| Heavy Atoms | 38 |
| Complexity | 944.0 |
| SMILES | C1CCN(CC1)CC2=C(C=CC(=C2)N3C(=NC4=C(C3=O)C=C(C=C4)I)CN5C(=O)C6=CC=CC=C6C5=O)O |
| InChIKey | XGEKIOXMDOUOJT-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-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-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-4-oxo-2-quinazolinyl)methyl)-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-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-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-4-oxo-2-quinazolinyl)methyl)- is 134700-44-0.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-4-oxo-2-quinazolinyl)methyl)- is C29H25IN4O4.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-4-oxo-2-quinazolinyl)methyl)- is 620.09204 g/mol.
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