![1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate structure](/static/products/1005/1005117-68-9.webp)
1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
TL;DR: 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (CAS 1005117-68-9) is a chemical compound with molecular formula C43H35NO5 and molecular weight 645.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-oxo-1-(4-phenylphenyl)hexan-2-yl] 4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
Also Known As: 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate, 1-(biphenyl-4-yl)-1-oxohexan-2-yl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name), [1-oxo-1-(4-phenylphenyl)hexan-2-yl] 4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate, 1-{[1,1'-biphenyl]-4-yl}-1-oxohexan-2-yl 4-{16,18-dioxo-17-azapentacyclo[6.6.5.0(2),?.0?,(1)?.0(1)?,(1)?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoate, 1-butyl-2-oxo-2-(4-phenylphenyl)ethyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0< 2,7>.0<9,14>.0<15,19>]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl)benzoate
| Molecular Formula | C43H35NO5 |
|---|---|
| Molecular Weight | 645.25 g/mol |
| LogP | 8.3487 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 645.2515 |
| Heavy Atoms | 49 |
| Complexity | 1970.1123 |
Chemical Identifiers
| CAS Number | 1005117-68-9 |
|---|---|
| SMILES | CCCCC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C(=O)C5C(C4=O)C6C7=CC=CC=C7C5C8=CC=CC=C68 |
Product Overview
1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (CAS 1005117-68-9), with molecular formula C43H35NO5 and molecular weight 645.25 g/mol. IUPAC: [1-oxo-1-(4-phenylphenyl)hexan-2-yl] 4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate.
Chemical Property Profile of 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
Property Insights of 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
The XLogP value of 8.3487 indicates that 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate 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-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate. Following Lipinski's Rule of Five, 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate?
The CAS number of 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate is 1005117-68-9.
What is the molecular formula of 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate?
The molecular formula of 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate is C43H35NO5.
What is the molecular weight of 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate?
The molecular weight of 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate is 645.25 g/mol.
Where can I buy 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate?
You can request a quote for 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-([1,1'-biphenyl]-4-ylcarbonyl)pentyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.