1,6-Dinitro-1,1,6,6-tetrabromohexane
TL;DR: 1,6-Dinitro-1,1,6,6-tetrabromohexane (CAS 98134-30-6) is a chemical compound with molecular formula C6H8Br4N2O4 and molecular weight 487.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,6,6-tetrabromo-1,6-dinitrohexane
Also Known As: 1,1,6,6-tetrabromo-1,6-dinitrohexane, 1,1,6,6-tetrabromo-1,6-dinitro-hexane, 1,6-DINITRO-1,1,6,6-TETRABROMOHEXANE
| Molecular Formula | C6H8Br4N2O4 |
|---|---|
| Molecular Weight | 487.72 g/mol |
| LogP | 3.9874 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.72177 |
| Heavy Atoms | 16 |
| Complexity | 255.7021 |
Chemical Identifiers
| CAS Number | 98134-30-6 |
|---|---|
| SMILES | C(CCC([N+](=O)[O-])(Br)Br)CC([N+](=O)[O-])(Br)Br |
Product Overview
1,6-Dinitro-1,1,6,6-tetrabromohexane (CAS 98134-30-6), with molecular formula C6H8Br4N2O4 and molecular weight 487.72 g/mol. IUPAC: 1,1,6,6-tetrabromo-1,6-dinitrohexane.
Chemical Property Profile of 1,6-Dinitro-1,1,6,6-tetrabromohexane
Property Insights of 1,6-Dinitro-1,1,6,6-tetrabromohexane
The XLogP value of 3.9874 indicates that 1,6-Dinitro-1,1,6,6-tetrabromohexane 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 1,6-Dinitro-1,1,6,6-tetrabromohexane. Following Lipinski's Rule of Five, 1,6-Dinitro-1,1,6,6-tetrabromohexane 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 1,6-Dinitro-1,1,6,6-tetrabromohexane?
The CAS number of 1,6-Dinitro-1,1,6,6-tetrabromohexane is 98134-30-6.
What is the molecular formula of 1,6-Dinitro-1,1,6,6-tetrabromohexane?
The molecular formula of 1,6-Dinitro-1,1,6,6-tetrabromohexane is C6H8Br4N2O4.
What is the molecular weight of 1,6-Dinitro-1,1,6,6-tetrabromohexane?
The molecular weight of 1,6-Dinitro-1,1,6,6-tetrabromohexane is 487.72 g/mol.
Where can I buy 1,6-Dinitro-1,1,6,6-tetrabromohexane?
You can request a quote for 1,6-Dinitro-1,1,6,6-tetrabromohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dinitro-1,1,6,6-tetrabromohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dinitro-1,1,6,6-tetrabromohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.