![2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate structure](/static/products/4740/474002-06-7.webp)
2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
TL;DR: 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate (CAS 474002-06-7) is a chemical compound with molecular formula C22H21NO6 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetate
Also Known As: 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate, 2-(4-methoxyphenyl)-2-oxoethyl 2-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate, 2-(4-methoxyphenyl)-2-oxoethyl (3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)acetate, 2-(4-methoxyphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,1 0>]dodec-11-en-4-yl)acetate, 2-(4-METHOXYPHENYL)-2-OXOETHYL 2-{3,5-DIOXO-4-AZATETRACYCLO[5.3.2.0(2),?.0?,(1)?]DODEC-11-EN-4-YL}ACETATE
| Molecular Formula | C22H21NO6 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 1.4742 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.1369 |
| Heavy Atoms | 29 |
| Complexity | 899.1258 |
Chemical Identifiers
| CAS Number | 474002-06-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
Product Overview
2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate (CAS 474002-06-7), with molecular formula C22H21NO6 and molecular weight 395.14 g/mol. IUPAC: [2-(4-methoxyphenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetate.
Chemical Property Profile of 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
Property Insights of 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
The XLogP value of 1.4742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate 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
Frequently Asked Questions
What is the CAS number of 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
The CAS number of 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate is 474002-06-7.
What is the molecular formula of 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
The molecular formula of 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate is C22H21NO6.
What is the molecular weight of 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
The molecular weight of 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate is 395.14 g/mol.
Where can I buy 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
You can request a quote for 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxyphenyl)-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.