TL;DR: N-(3-Chloro-2-hydroxypropyl)-phthalimide (CAS 148857-42-5) is a chemical compound with molecular formula C11H10ClNO3 and molecular weight 239.03493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione
Also Known As: 2-(3-chloro-2-hydroxypropyl)isoindoline-1,3-dione, Rivaroxaban Impurity 131, Rivaroxaban Impurity 171, 2-(3-chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione, 1-chloro-3-phthalimido-2-propanol
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H10ClNO3 |
| Molecular Weight | 239.03493 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.03493 Da |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CCl)O |
| InChIKey | KBRVYEPWGIQEOF-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chloro-2-hydroxypropyl)-phthalimide. With a topological polar surface area (TPSA) of 57.6 Ų, N-(3-Chloro-2-hydroxypropyl)-phthalimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chloro-2-hydroxypropyl)-phthalimide 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 N-(3-Chloro-2-hydroxypropyl)-phthalimide is 148857-42-5.
The molecular formula of N-(3-Chloro-2-hydroxypropyl)-phthalimide is C11H10ClNO3.
The molecular weight of N-(3-Chloro-2-hydroxypropyl)-phthalimide is 239.03493 g/mol.
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