1,1-Dinitrocyclododecane
TL;DR: 1,1-Dinitrocyclododecane (CAS 84065-76-9) is a chemical compound with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dinitrocyclododecane
Also Known As: 1,1-dinitrocyclododecane, 659-766-5, RefChem:410263
| Molecular Formula | C12H22N2O4 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 3.5408 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.15796 |
| Heavy Atoms | 18 |
| Complexity | 265.802 |
Chemical Identifiers
| CAS Number | 84065-76-9 |
|---|---|
| SMILES | C1CCCCCC(CCCCC1)([N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,1-Dinitrocyclododecane (CAS 84065-76-9), with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol. IUPAC: 1,1-dinitrocyclododecane.
Chemical Property Profile of 1,1-Dinitrocyclododecane
Property Insights of 1,1-Dinitrocyclododecane
The XLogP value of 3.5408 indicates that 1,1-Dinitrocyclododecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dinitrocyclododecane. Following Lipinski's Rule of Five, 1,1-Dinitrocyclododecane has 0 hydrogen bond donor(s) and 4 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 1,1-Dinitrocyclododecane?
The CAS number of 1,1-Dinitrocyclododecane is 84065-76-9.
What is the molecular formula of 1,1-Dinitrocyclododecane?
The molecular formula of 1,1-Dinitrocyclododecane is C12H22N2O4.
What is the molecular weight of 1,1-Dinitrocyclododecane?
The molecular weight of 1,1-Dinitrocyclododecane is 258.16 g/mol.
Where can I buy 1,1-Dinitrocyclododecane?
You can request a quote for 1,1-Dinitrocyclododecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dinitrocyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dinitrocyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.