TL;DR: 5,6-Dichloro-2-(4-hydroxy-phenyl)-isoindole-1,3-dione (CAS 154044-92-5) is a chemical compound with molecular formula C14H7Cl2NO3 and molecular weight 306.9803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione
Also Known As: BAS 00391111, 5,6-Dichloro-2-(4-hydroxy-phenyl)-isoindole-1,3-dione, 5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione, 5,6-dichloro-2-(4-hydroxyphenyl)-1H-isoindole-1,3(2H)-dione, 5,6-dichloro-2-(4-hydroxyphenyl)benzo[c]azoline-1,3-dione
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H7Cl2NO3 |
| Molecular Weight | 306.9803 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.9803 Da |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
| SMILES | C1=CC(=CC=C1N2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)O |
| InChIKey | GXOQDSBFIKDKMF-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 5,6-Dichloro-2-(4-hydroxy-phenyl)-isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 5,6-Dichloro-2-(4-hydroxy-phenyl)-isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dichloro-2-(4-hydroxy-phenyl)-isoindole-1,3-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5,6-Dichloro-2-(4-hydroxy-phenyl)-isoindole-1,3-dione is 154044-92-5.
The molecular formula of 5,6-Dichloro-2-(4-hydroxy-phenyl)-isoindole-1,3-dione is C14H7Cl2NO3.
The molecular weight of 5,6-Dichloro-2-(4-hydroxy-phenyl)-isoindole-1,3-dione is 306.9803 g/mol.
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