![propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate structure](/static/products/121/1212142-12-5.webp)
propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate
TL;DR: propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate (CAS 1212142-12-5) is a chemical compound with molecular formula C23H24N2O5 and molecular weight 408.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 4-[[2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetyl]amino]benzoate
Also Known As: propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate, isopropyl 4-(2-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetamido)benzoate, methylethyl 4-[2-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,10>]dodec-11-en-4 -yl)acetylamino]benzoate
Technical Specifications
| Molecular Formula | C23H24N2O5 |
| Molecular Weight | 408.16852 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.16852 Da |
| Heavy Atoms | 30 |
| Complexity | 776.0 |
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
| InChIKey | BGCYXUCMXXMRBQ-UHFFFAOYSA-N |
Chemical Property Profile of propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate
Property Insights of propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate?
The CAS number of propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate is 1212142-12-5.
What is the molecular formula of propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate?
The molecular formula of propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate is C23H24N2O5.
What is the molecular weight of propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate?
The molecular weight of propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate is 408.16852 g/mol.
Where can I buy propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate?
You can request a quote for propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate?
Yes, CoreyChem provides custom synthesis services for propan-2-yl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.