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[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
TL;DR: [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- (CAS 52364-73-5) is a chemical compound with molecular formula C21H25NO and molecular weight 307.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-octoxyphenyl)benzonitrile
Also Known As: 4'-(Octyloxy)-4-biphenylcarbonitrile, 8OCB, 4'-Octyloxy-[1,1'-biphenyl]-4-carbonitrile, 4-Octyloxycyanodiphenyl, M 24 (liquid crystal)
| Molecular Formula | C21H25NO |
|---|---|
| Molecular Weight | 307.19 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 307.1936 |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 52364-73-5 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | GPGGNNIMKOVSAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- (CAS 52364-73-5), with molecular formula C21H25NO and molecular weight 307.19 g/mol. IUPAC: 4-(4-octoxyphenyl)benzonitrile.
Chemical Property Profile of [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
Property Insights of [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
The XLogP value of 6.7 indicates that [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- 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 [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-?
The CAS number of [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- is 52364-73-5.
What is the molecular formula of [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-?
The molecular formula of [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- is C21H25NO.
What is the molecular weight of [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-?
The molecular weight of [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- is 307.19 g/mol.
Where can I buy [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-?
You can request a quote for [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.