TL;DR: 2-(5-chloro-2-hydroxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione (CAS 1212380-23-8) is a chemical compound with molecular formula C17H14ClNO3 and molecular weight 315.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-chloro-2-hydroxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
Also Known As: 2-(5-chloro-2-hydroxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione, 2-(5-chloro-2-hydroxyphenyl)-4,4a,5,5a,6,6a-hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
| Molecular Formula | C17H14ClNO3 |
| Molecular Weight | 315.06622 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.06622 Da |
| Heavy Atoms | 22 |
| Complexity | 554.0 |
| SMILES | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=C(C=CC(=C5)Cl)O |
| InChIKey | OFHLMVJQLYKWLM-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-chloro-2-hydroxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(5-chloro-2-hydroxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-chloro-2-hydroxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-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 2-(5-chloro-2-hydroxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is 1212380-23-8.
The molecular formula of 2-(5-chloro-2-hydroxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is C17H14ClNO3.
The molecular weight of 2-(5-chloro-2-hydroxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is 315.06622 g/mol.
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