4'-Octyl-4-cyanobiphenyl
TL;DR: 4'-Octyl-4-cyanobiphenyl (CAS 52709-84-9) is a chemical compound with molecular formula C21H25N and molecular weight 291.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-octylphenyl)benzonitrile
Also Known As: 4-Cyano-4'-octylbiphenyl, 4'-Octyl-[1,1'-biphenyl]-4-carbonitrile, 4-Octylcyanodiphenyl, 4-(4-octylphenyl)benzonitrile, 4-Octyl-4'-cyanobiphenyl
| Molecular Formula | C21H25N |
|---|---|
| Molecular Weight | 291.20 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 291.1987 |
| Heavy Atoms | 22 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 52709-84-9 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | CSQPODPWWMOTIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Octyl-4-cyanobiphenyl (CAS 52709-84-9), with molecular formula C21H25N and molecular weight 291.20 g/mol. IUPAC: 4-(4-octylphenyl)benzonitrile.
Chemical Property Profile of 4'-Octyl-4-cyanobiphenyl
Property Insights of 4'-Octyl-4-cyanobiphenyl
The XLogP value of 7.3 indicates that 4'-Octyl-4-cyanobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4'-Octyl-4-cyanobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Octyl-4-cyanobiphenyl has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-Octyl-4-cyanobiphenyl?
The CAS number of 4'-Octyl-4-cyanobiphenyl is 52709-84-9.
What is the molecular formula of 4'-Octyl-4-cyanobiphenyl?
The molecular formula of 4'-Octyl-4-cyanobiphenyl is C21H25N.
What is the molecular weight of 4'-Octyl-4-cyanobiphenyl?
The molecular weight of 4'-Octyl-4-cyanobiphenyl is 291.20 g/mol.
Where can I buy 4'-Octyl-4-cyanobiphenyl?
You can request a quote for 4'-Octyl-4-cyanobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Octyl-4-cyanobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4'-Octyl-4-cyanobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.