![methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate structure](/static/products/1005/1005108-36-0.webp)
methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate
TL;DR: methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate (CAS 1005108-36-0) is a chemical compound with molecular formula C26H22N2O5 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzoyl]amino]benzoate
Also Known As: methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate, methyl 4-(3-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzamido)benzoate, METHYL 4-(3-{3,5-DIOXO-4-AZATETRACYCLO[5.3.2.0(2),?.0?,(1)?]DODEC-11-EN-4-YL}BENZAMIDO)BENZOATE, methyl 4-{[3-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,10>]dodec-11-en-4-yl) phenyl]carbonylamino}benzoate
| Molecular Formula | C26H22N2O5 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 3.283 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.15286 |
| Heavy Atoms | 33 |
| Complexity | 1197.4983 |
Chemical Identifiers
| CAS Number | 1005108-36-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 |
Product Overview
methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate (CAS 1005108-36-0), with molecular formula C26H22N2O5 and molecular weight 442.15 g/mol. IUPAC: methyl 4-[[3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzoyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate
Property Insights of methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate
The XLogP value of 3.283 indicates that methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate has 1 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 methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate?
The CAS number of methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate is 1005108-36-0.
What is the molecular formula of methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate?
The molecular formula of methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate is C26H22N2O5.
What is the molecular weight of methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate?
The molecular weight of methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate is 442.15 g/mol.
Where can I buy methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate?
You can request a quote for methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.