TL;DR: 6-Phenyl-1-oxa-6-azaspiro(2.4)heptane-5,7-dione (CAS 123077-78-1) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione
Also Known As: WCLWYQVYBRHTSM-UHFFFAOYSA-, 6-Phenyl-1-oxa-6-azaspiro(2.4)heptane-5,7-dione, 6-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione, 6-phenyl-2-oxa-6-azaspiro[2.4]heptane-5,7-dione, 5-PHENYL-1-OXA-5-AZASPIRO[2.4]HEPTANE-4,6-DIONE
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.05824 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.05824 Da |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
| SMILES | C1C(=O)N(C(=O)C12CO2)C3=CC=CC=C3 |
| InChIKey | WCLWYQVYBRHTSM-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenyl-1-oxa-6-azaspiro(2.4)heptane-5,7-dione. With a topological polar surface area (TPSA) of 49.9 Ų, 6-Phenyl-1-oxa-6-azaspiro(2.4)heptane-5,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Phenyl-1-oxa-6-azaspiro(2.4)heptane-5,7-dione has 0 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 6-Phenyl-1-oxa-6-azaspiro(2.4)heptane-5,7-dione is 123077-78-1.
The molecular formula of 6-Phenyl-1-oxa-6-azaspiro(2.4)heptane-5,7-dione is C11H9NO3.
The molecular weight of 6-Phenyl-1-oxa-6-azaspiro(2.4)heptane-5,7-dione is 203.05824 g/mol.
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