4,4'-Hexane-1,6-diyldibenzonitrile
TL;DR: 4,4'-Hexane-1,6-diyldibenzonitrile (CAS 10305-38-1) is a chemical compound with molecular formula C20H20N2 and molecular weight 288.16266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[6-(4-cyanophenyl)hexyl]benzonitrile
Also Known As: 4,4'-hexane-1,6-diyldibenzonitrile, 1,6-Di-<4-cyan-phenyl>-hexan, 4-[6-(4-cyanophenyl)hexyl]benzonitrile, 4,4'-(Hexane-1,6-diyl)dibenzonitrile, Benzonitrile,4,4'-(1,6-hexanediyl)bis-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H20N2 |
| Molecular Weight | 288.16266 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.16266 Da |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
| SMILES | C1=CC(=CC=C1CCCCCCC2=CC=C(C=C2)C#N)C#N |
| InChIKey | CDRXLLNWPBZLDA-UHFFFAOYSA-N |
Chemical Property Profile of 4,4'-Hexane-1,6-diyldibenzonitrile
Property Insights of 4,4'-Hexane-1,6-diyldibenzonitrile
The XLogP value of 5.7 indicates that 4,4'-Hexane-1,6-diyldibenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 4,4'-Hexane-1,6-diyldibenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Hexane-1,6-diyldibenzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4,4'-Hexane-1,6-diyldibenzonitrile?
The CAS number of 4,4'-Hexane-1,6-diyldibenzonitrile is 10305-38-1.
What is the molecular formula of 4,4'-Hexane-1,6-diyldibenzonitrile?
The molecular formula of 4,4'-Hexane-1,6-diyldibenzonitrile is C20H20N2.
What is the molecular weight of 4,4'-Hexane-1,6-diyldibenzonitrile?
The molecular weight of 4,4'-Hexane-1,6-diyldibenzonitrile is 288.16266 g/mol.
Where can I buy 4,4'-Hexane-1,6-diyldibenzonitrile?
You can request a quote for 4,4'-Hexane-1,6-diyldibenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4'-Hexane-1,6-diyldibenzonitrile?
Yes, CoreyChem provides custom synthesis services for 4,4'-Hexane-1,6-diyldibenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.