![methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate structure](/static/products/1212/1212271-14-1.webp)
methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate
TL;DR: methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate (CAS 1212271-14-1) is a chemical compound with molecular formula C21H19NO6 and molecular weight 381.12125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetyl]oxybenzoate
Also Known As: methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate, 4-(methoxycarbonyl)phenyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,10>]do dec-11-en-4-yl)acetate, 4-(Methoxycarbonyl)phenyl 3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop[f]isoindole-2(1H)-acetate, METHYL 4-[(2-{3,5-DIOXO-4-AZATETRACYCLO[5.3.2.0(2),?.0?,(1)?]DODEC-11-EN-4-YL}ACETYL)OXY]BENZOATE
Technical Specifications
| Molecular Formula | C21H19NO6 |
| Molecular Weight | 381.12125 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.12125 Da |
| Heavy Atoms | 28 |
| Complexity | 731.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)OC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
| InChIKey | PFLCMTJFUCNZPF-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate
Property Insights of methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate. Following Lipinski's Rule of Five, methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate?
The CAS number of methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate is 1212271-14-1.
What is the molecular formula of methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate?
The molecular formula of methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate is C21H19NO6.
What is the molecular weight of methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate?
The molecular weight of methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate is 381.12125 g/mol.
Where can I buy methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate?
You can request a quote for methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]oxy}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.