![6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate structure](/static/products/7238/7238-79-1.webp)
6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate
TL;DR: 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate (CAS 7238-79-1) is a chemical compound with molecular formula C42H54N2O9 and molecular weight 730.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)-4,9-dioxo-2-bicyclo[3.3.1]non-2-enyl] 3,5-dinitrobenzoate
Also Known As: 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate, [6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)-4,9-dioxo-2-bicyclo[3.3.1]non-2-enyl] 3,5-dinitrobenzoate
| Molecular Formula | C42H54N2O9 |
|---|---|
| Molecular Weight | 730.38 g/mol |
| LogP | 10.1051 |
| Topological Polar Surface Area | 163.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 730.38293 |
| Heavy Atoms | 53 |
| Complexity | 1828.9294 |
Chemical Identifiers
| CAS Number | 7238-79-1 |
|---|---|
| SMILES | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CC=C(C)C |
Product Overview
6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate (CAS 7238-79-1), with molecular formula C42H54N2O9 and molecular weight 730.38 g/mol. IUPAC: [6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)-4,9-dioxo-2-bicyclo[3.3.1]non-2-enyl] 3,5-dinitrobenzoate.
Chemical Property Profile of 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate
Property Insights of 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate
The XLogP value of 10.1051 indicates that 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.79 Ų indicates high polarity, suggesting 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate?
The CAS number of 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate is 7238-79-1.
What is the molecular formula of 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate?
The molecular formula of 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate is C42H54N2O9.
What is the molecular weight of 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate?
The molecular weight of 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate is 730.38 g/mol.
Where can I buy 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate?
You can request a quote for 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.