![[3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate structure](/static/products/2969/2969-20-2.webp)
[3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate
TL;DR: [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate (CAS 2969-20-2) is a chemical compound with molecular formula C35H34N4O12 and molecular weight 702.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate
Also Known As: [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate|[3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclo|5'-Methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diyl bis(3,5-dinitrobenzoate)
| Molecular Formula | C35H34N4O12 |
|---|---|
| Molecular Weight | 702.22 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 702.21735 |
| Heavy Atoms | 51 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 2969-20-2 |
|---|---|
| SMILES | CCCCCC1=CC(=C(C(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3C=C(CCC3C(=C)C)C)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KCQFEKUMDPERSS-UHFFFAOYSA-N |
Product Overview
[3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate (CAS 2969-20-2), with molecular formula C35H34N4O12 and molecular weight 702.22 g/mol. IUPAC: [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate.
Chemical Property Profile of [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate
Property Insights of [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate
The XLogP value of 9.4 indicates that [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate?
The CAS number of [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate is 2969-20-2.
What is the molecular formula of [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate?
The molecular formula of [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate is C35H34N4O12.
What is the molecular weight of [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate?
The molecular weight of [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate is 702.22 g/mol.
Where can I buy [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate?
You can request a quote for [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 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 [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.