TL;DR: phenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate (CAS 1022924-02-2) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanoate
Also Known As: phenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate, phenyl 2-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate
| Molecular Formula | C20H19NO4 |
| Molecular Weight | 337.1314 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.1314 Da |
| Heavy Atoms | 25 |
| Complexity | 629.0 |
| SMILES | CC(C(=O)OC1=CC=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
| InChIKey | LWZSVFTYNRUTCR-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for phenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate. Following Lipinski's Rule of Five, phenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate 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 phenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate is 1022924-02-2.
The molecular formula of phenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate is C20H19NO4.
The molecular weight of phenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate is 337.1314 g/mol.
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