1,6-Bis(3-nitrophenoxy)hexane
TL;DR: 1,6-Bis(3-nitrophenoxy)hexane (CAS 5226-69-7) is a chemical compound with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-[6-(3-nitrophenoxy)hexoxy]benzene
Also Known As: 1,6-Bis(3-nitrophenoxy)hexane, 1-nitro-3-[6-(3-nitrophenoxy)hexoxy]benzene, J1.878.887J, 1-nitro-3-{[6-(3-nitrophenoxy)hexyl]oxy}benzene, 653-225-7
| Molecular Formula | C18H20N2O6 |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 4.5212 |
| Topological Polar Surface Area | 104.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 360.13214 |
| Heavy Atoms | 26 |
| Complexity | 686.4661 |
Chemical Identifiers
| CAS Number | 5226-69-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCCCCCOC2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,6-Bis(3-nitrophenoxy)hexane (CAS 5226-69-7), with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol. IUPAC: 1-nitro-3-[6-(3-nitrophenoxy)hexoxy]benzene.
Chemical Property Profile of 1,6-Bis(3-nitrophenoxy)hexane
Property Insights of 1,6-Bis(3-nitrophenoxy)hexane
The XLogP value of 4.5212 indicates that 1,6-Bis(3-nitrophenoxy)hexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Bis(3-nitrophenoxy)hexane. Following Lipinski's Rule of Five, 1,6-Bis(3-nitrophenoxy)hexane has 0 hydrogen bond donor(s) and 6 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-Bis(3-nitrophenoxy)hexane?
The CAS number of 1,6-Bis(3-nitrophenoxy)hexane is 5226-69-7.
What is the molecular formula of 1,6-Bis(3-nitrophenoxy)hexane?
The molecular formula of 1,6-Bis(3-nitrophenoxy)hexane is C18H20N2O6.
What is the molecular weight of 1,6-Bis(3-nitrophenoxy)hexane?
The molecular weight of 1,6-Bis(3-nitrophenoxy)hexane is 360.13 g/mol.
Where can I buy 1,6-Bis(3-nitrophenoxy)hexane?
You can request a quote for 1,6-Bis(3-nitrophenoxy)hexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Bis(3-nitrophenoxy)hexane?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Bis(3-nitrophenoxy)hexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.