4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile)
TL;DR: 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile) (CAS 65693-92-7) is a chemical compound with molecular formula C20H18Br2N2O2 and molecular weight 475.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-[6-(2-bromo-4-cyanophenoxy)hexoxy]benzonitrile
Also Known As: EINECS 265-878-1, 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile), 3-bromo-4-[6-(2-bromo-4-cyanophenoxy)hexoxy]benzonitrile, 4,4'-[Hexane-1,6-diylbis(oxy)]bis(3-bromobenzonitrile), 4,4'-[HEXANE-1,6-DIYLBIS(OXY)]BIS[3-BROMOBENZONITRILE]
| Molecular Formula | C20H18Br2N2O2 |
|---|---|
| Molecular Weight | 475.97 g/mol |
| LogP | 5.97316 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.9735 |
| Heavy Atoms | 26 |
| Complexity | 756.0365 |
Chemical Identifiers
| CAS Number | 65693-92-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)Br)OCCCCCCOC2=C(C=C(C=C2)C#N)Br |
Product Overview
4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile) (CAS 65693-92-7), with molecular formula C20H18Br2N2O2 and molecular weight 475.97 g/mol. IUPAC: 3-bromo-4-[6-(2-bromo-4-cyanophenoxy)hexoxy]benzonitrile.
Chemical Property Profile of 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile)
Property Insights of 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile)
The XLogP value of 5.97316 indicates that 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile). Following Lipinski's Rule of Five, 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile)?
The CAS number of 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile) is 65693-92-7.
What is the molecular formula of 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile)?
The molecular formula of 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile) is C20H18Br2N2O2.
What is the molecular weight of 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile)?
The molecular weight of 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile) is 475.97 g/mol.
Where can I buy 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile)?
You can request a quote for 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile) 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-bromobenzonitrile)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.