![4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate structure](/static/products/4894/489400-49-9.webp)
4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate
TL;DR: 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate (CAS 489400-49-9) is a chemical compound with molecular formula C25H21NO5 and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)phenyl] 3-methoxybenzoate
Also Known As: 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate, [4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)phenyl] 3-methoxybenzoate, 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)phenyl 3-methoxybenzoate, 4-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate
| Molecular Formula | C25H21NO5 |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 3.4719 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.14197 |
| Heavy Atoms | 31 |
| Complexity | 1100.8563 |
Chemical Identifiers
| CAS Number | 489400-49-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 |
Product Overview
4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate (CAS 489400-49-9), with molecular formula C25H21NO5 and molecular weight 415.14 g/mol. IUPAC: [4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)phenyl] 3-methoxybenzoate.
Chemical Property Profile of 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate
Property Insights of 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate
The XLogP value of 3.4719 indicates that 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate. Following Lipinski's Rule of Five, 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate?
The CAS number of 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate is 489400-49-9.
What is the molecular formula of 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate?
The molecular formula of 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate is C25H21NO5.
What is the molecular weight of 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate?
The molecular weight of 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate is 415.14 g/mol.
Where can I buy 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate?
You can request a quote for 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.