![1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate structure](/static/products/1041/1041438-07-6.webp)
1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate
TL;DR: 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate (CAS 1041438-07-6) is a chemical compound with molecular formula C27H31NO5 and molecular weight 449.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)hexanoate
Also Known As: 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate, 1-(4-methylphenyl)-1-oxopropan-2-yl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-en-4-yl}hexanoate, 1-methyl-2-(4-methylphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2, 6>.0<8,10>]dodec-11-en-4-yl)hexanoate, 1-Methyl-2-(4-methylphenyl)-2-oxoethyl I+/--butyl-3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop[f]isoindole-2(1H)-acetate
| Molecular Formula | C27H31NO5 |
|---|---|
| Molecular Weight | 449.22 g/mol |
| LogP | 3.72132 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.2202 |
| Heavy Atoms | 33 |
| Complexity | 991.4523 |
Chemical Identifiers
| CAS Number | 1041438-07-6 |
|---|---|
| SMILES | CCCCC(C(=O)OC(C)C(=O)C1=CC=C(C=C1)C)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
Product Overview
1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate (CAS 1041438-07-6), with molecular formula C27H31NO5 and molecular weight 449.22 g/mol. IUPAC: [1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)hexanoate.
Chemical Property Profile of 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate
Property Insights of 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate
The XLogP value of 3.72132 indicates that 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate 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 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate?
The CAS number of 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate is 1041438-07-6.
What is the molecular formula of 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate?
The molecular formula of 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate is C27H31NO5.
What is the molecular weight of 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate?
The molecular weight of 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate is 449.22 g/mol.
Where can I buy 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate?
You can request a quote for 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.