![4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate structure](/static/products/1212/1212102-97-0.webp)
4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
TL;DR: 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate (CAS 1212102-97-0) is a chemical compound with molecular formula C23H25NO4 and molecular weight 379.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetate
Also Known As: 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate, 4-(tert-butyl)phenyl 2-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
| Molecular Formula | C23H25NO4 |
|---|---|
| Molecular Weight | 379.18 g/mol |
| LogP | 2.9426 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.17834 |
| Heavy Atoms | 28 |
| Complexity | 858.17255 |
Chemical Identifiers
| CAS Number | 1212102-97-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
Product Overview
4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate (CAS 1212102-97-0), with molecular formula C23H25NO4 and molecular weight 379.18 g/mol. IUPAC: (4-tert-butylphenyl) 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetate.
Chemical Property Profile of 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
Property Insights of 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
The XLogP value of 2.9426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate. Following Lipinski's Rule of Five, 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate has 0 hydrogen bond donor(s) and 4 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-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
The CAS number of 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate is 1212102-97-0.
What is the molecular formula of 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
The molecular formula of 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate is C23H25NO4.
What is the molecular weight of 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
The molecular weight of 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate is 379.18 g/mol.
Where can I buy 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
You can request a quote for 4-tert-butylphenyl (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 4-tert-butylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butylphenyl (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.