TL;DR: 2-(2,4-dimethoxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione (CAS 1212330-70-5) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,4-dimethoxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
Also Known As: 2-(2,4-dimethoxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione, 2-(2,4-dimethoxyphenyl)-4,4a,5,5a,6,6a-hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.1314 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.1314 Da |
| Heavy Atoms | 24 |
| Complexity | 580.0 |
| SMILES | COC1=CC(=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5)OC |
| InChIKey | ZCBXUCLMMLRDJP-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-dimethoxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione. With a topological polar surface area (TPSA) of 55.8 Ų, 2-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione 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 2-(2,4-dimethoxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is 1212330-70-5.
The molecular formula of 2-(2,4-dimethoxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is C19H19NO4.
The molecular weight of 2-(2,4-dimethoxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is 325.1314 g/mol.
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