4,4'-己烷-1,6-二基二苯甲腈
TL;DR: 4,4'-己烷-1,6-二基二苯甲腈 (CAS 10305-38-1) is a chemical compound with molecular formula C20H20N2 and molecular weight 288.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4'-己烷-1,6-二基二苯甲腈
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-
| Molecular Formula | C20H20N2 |
|---|---|
| Molecular Weight | 288.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.16266 |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 10305-38-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCCCCC2=CC=C(C=C2)C#N)C#N |
| InChIKey | CDRXLLNWPBZLDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-己烷-1,6-二基二苯甲腈 (CAS 10305-38-1), with molecular formula C20H20N2 and molecular weight 288.16 g/mol. IUPAC: 4-[6-(4-cyanophenyl)hexyl]benzonitrile.
Chemical Property Profile of 4,4'-己烷-1,6-二基二苯甲腈
Property Insights of 4,4'-己烷-1,6-二基二苯甲腈
The XLogP value of 5.7 indicates that 4,4'-己烷-1,6-二基二苯甲腈 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'-己烷-1,6-二基二苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-己烷-1,6-二基二苯甲腈 has 0 hydrogen bond donor(s) and 2 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'-己烷-1,6-二基二苯甲腈?
The CAS number of 4,4'-己烷-1,6-二基二苯甲腈 is 10305-38-1.
What is the molecular formula of 4,4'-己烷-1,6-二基二苯甲腈?
The molecular formula of 4,4'-己烷-1,6-二基二苯甲腈 is C20H20N2.
What is the molecular weight of 4,4'-己烷-1,6-二基二苯甲腈?
The molecular weight of 4,4'-己烷-1,6-二基二苯甲腈 is 288.16 g/mol.
Where can I buy 4,4'-己烷-1,6-二基二苯甲腈?
You can request a quote for 4,4'-己烷-1,6-二基二苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-己烷-1,6-二基二苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-己烷-1,6-二基二苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.