![4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate structure](/static/products/1005/1005053-65-5.webp)
4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate
TL;DR: 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate (CAS 1005053-65-5) is a chemical compound with molecular formula C29H29NO4 and molecular weight 455.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-phenylpropan-2-yl)phenyl] 3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanoate
Also Known As: 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate, 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate, 4-(2-PHENYLPROPAN-2-YL)PHENYL 3-{3,5-DIOXO-4-AZATETRACYCLO[5.3.2.0(2),?.0?,(1)?]DODEC-11-EN-4-YL}PROPANOATE
| Molecular Formula | C29H29NO4 |
|---|---|
| Molecular Weight | 455.21 g/mol |
| LogP | 4.3611 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.20966 |
| Heavy Atoms | 34 |
| Complexity | 1146.3711 |
Chemical Identifiers
| CAS Number | 1005053-65-5 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)CCN3C(=O)C4C5C=CC(C4C3=O)C6C5C6 |
Product Overview
4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate (CAS 1005053-65-5), with molecular formula C29H29NO4 and molecular weight 455.21 g/mol. IUPAC: [4-(2-phenylpropan-2-yl)phenyl] 3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanoate.
Chemical Property Profile of 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate
Property Insights of 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate
The XLogP value of 4.3611 indicates that 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate. Following Lipinski's Rule of Five, 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate 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-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate?
The CAS number of 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate is 1005053-65-5.
What is the molecular formula of 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate?
The molecular formula of 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate is C29H29NO4.
What is the molecular weight of 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate?
The molecular weight of 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate is 455.21 g/mol.
Where can I buy 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate?
You can request a quote for 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-phenylpropan-2-yl)phenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.