1,4-Dibromo-1,4-dinitrocyclohexane
TL;DR: 1,4-Dibromo-1,4-dinitrocyclohexane (CAS 89415-61-2) is a chemical compound with molecular formula C6H8Br2N2O4 and molecular weight 329.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibromo-1,4-dinitrocyclohexane
Also Known As: 1,4-dibromo-1,4-dinitrocyclohexane, 1,4-dibromo-1,4-dinitro-cyclohexane
| Molecular Formula | C6H8Br2N2O4 |
|---|---|
| Molecular Weight | 329.89 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.88507 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 89415-61-2 |
|---|---|
| SMILES | C1CC(CCC1([N+](=O)[O-])Br)([N+](=O)[O-])Br |
| InChIKey | GGEBPNFRWOARLN-UHFFFAOYSA-N |
Product Overview
1,4-Dibromo-1,4-dinitrocyclohexane (CAS 89415-61-2), with molecular formula C6H8Br2N2O4 and molecular weight 329.89 g/mol. IUPAC: 1,4-dibromo-1,4-dinitrocyclohexane.
Chemical Property Profile of 1,4-Dibromo-1,4-dinitrocyclohexane
Property Insights of 1,4-Dibromo-1,4-dinitrocyclohexane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dibromo-1,4-dinitrocyclohexane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dibromo-1,4-dinitrocyclohexane. Following Lipinski's Rule of Five, 1,4-Dibromo-1,4-dinitrocyclohexane 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 1,4-Dibromo-1,4-dinitrocyclohexane?
The CAS number of 1,4-Dibromo-1,4-dinitrocyclohexane is 89415-61-2.
What is the molecular formula of 1,4-Dibromo-1,4-dinitrocyclohexane?
The molecular formula of 1,4-Dibromo-1,4-dinitrocyclohexane is C6H8Br2N2O4.
What is the molecular weight of 1,4-Dibromo-1,4-dinitrocyclohexane?
The molecular weight of 1,4-Dibromo-1,4-dinitrocyclohexane is 329.89 g/mol.
Where can I buy 1,4-Dibromo-1,4-dinitrocyclohexane?
You can request a quote for 1,4-Dibromo-1,4-dinitrocyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibromo-1,4-dinitrocyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibromo-1,4-dinitrocyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.