(2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate
TL;DR: (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate (CAS 7469-78-5) is a chemical compound with molecular formula C17H22N2O8 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-diethoxycyclohexyl) 3,5-dinitrobenzoate
Also Known As: (2,2-diethoxycyclohexyl) 3,5-dinitrobenzoate, 2,2-Diethoxycyclohexyl 3,5-dinitrobenzoate
| Molecular Formula | C17H22N2O8 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.1376 |
| Heavy Atoms | 27 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 7469-78-5 |
|---|---|
| SMILES | CCOC1(CCCCC1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OCC |
| InChIKey | PTJQCXBTSJNLRN-UHFFFAOYSA-N |
Product Overview
(2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate (CAS 7469-78-5), with molecular formula C17H22N2O8 and molecular weight 382.14 g/mol. IUPAC: (2,2-diethoxycyclohexyl) 3,5-dinitrobenzoate.
Chemical Property Profile of (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate
Property Insights of (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate
The XLogP value of 3.1 indicates that (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 8 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 (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate?
The CAS number of (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate is 7469-78-5.
What is the molecular formula of (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate?
The molecular formula of (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate is C17H22N2O8.
What is the molecular weight of (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate?
The molecular weight of (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate is 382.14 g/mol.
Where can I buy (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate?
You can request a quote for (2,2-Diethoxycyclohexyl) 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 (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.