![4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) structure](/static/products/1258/125880-54-8.webp)
4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile)
TL;DR: 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) (CAS 125880-54-8) is a chemical compound with molecular formula C20H18N4O6 and molecular weight 410.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(4-cyano-2-nitrophenoxy)hexoxy]-3-nitrobenzonitrile
Also Known As: 4-[6-(4-cyano-2-nitrophenoxy)hexoxy]-3-nitrobenzonitrile, 4,4'-[hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile), Benzonitrile, 4,4'-[1,6-hexanediylbis(oxy)]bis[3-nitro-, Benzonitrile,4,4'-[1,6-hexanediylbis(oxy)]bis[3-nitro, 4-[6-(4-cyano-2-nitrophenoxy)hexyloxy]-3-nitrobenzenecarbonitrile
| Molecular Formula | C20H18N4O6 |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 4.26456 |
| Topological Polar Surface Area | 152.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 410.12262 |
| Heavy Atoms | 30 |
| Complexity | 927.8319 |
Chemical Identifiers
| CAS Number | 125880-54-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)[N+](=O)[O-])OCCCCCCOC2=C(C=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) (CAS 125880-54-8), with molecular formula C20H18N4O6 and molecular weight 410.12 g/mol. IUPAC: 4-[6-(4-cyano-2-nitrophenoxy)hexoxy]-3-nitrobenzonitrile.
Chemical Property Profile of 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile)
Property Insights of 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile)
The XLogP value of 4.26456 indicates that 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.32 Ų indicates high polarity, suggesting 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) 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 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile)?
The CAS number of 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) is 125880-54-8.
What is the molecular formula of 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile)?
The molecular formula of 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) is C20H18N4O6.
What is the molecular weight of 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile)?
The molecular weight of 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) is 410.12 g/mol.
Where can I buy 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile)?
You can request a quote for 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-nitrobenzonitrile) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.