TL;DR: N-Carbethoxyphthalimide (CAS 22509-74-6) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1,3-dioxoisoindole-2-carboxylate
Also Known As: N-CARBETHOXYPHTHALIMIDE, N-Ethoxycarbonylphthalimide, N-Carboethoxyphthalimide, Ethyl N-phthaloylcarbamate, Phthalimide-N-carbethoxy
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H9NO4 |
| Molecular Weight | 219.05316 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05316 Da |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
| Vapor Pressure | 0.00000002 [mmHg] |
| SMILES | CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | VRHAQNTWKSVEEC-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Carbethoxyphthalimide. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Carbethoxyphthalimide. Following Lipinski's Rule of Five, N-Carbethoxyphthalimide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Carbethoxyphthalimide is 22509-74-6.
The molecular formula of N-Carbethoxyphthalimide is C11H9NO4.
The molecular weight of N-Carbethoxyphthalimide is 219.05316 g/mol.
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