(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
TL;DR: (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)- (CAS 52364-72-4) is a chemical compound with molecular formula C20H23NO and molecular weight 293.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-heptoxyphenyl)benzonitrile
Also Known As: 4'-Heptyloxy-4-cyanobiphenyl, 4-Cyano-4'-heptyloxybiphenyl, 4'-(Heptyloxy)-[1,1'-biphenyl]-4-carbonitrile, 4-Heptyloxycyanodiphenyl, 7COB
| Molecular Formula | C20H23NO |
|---|---|
| Molecular Weight | 293.18 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.17798 |
| Heavy Atoms | 22 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 52364-72-4 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | JPBFKTCKZLMJED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)- (CAS 52364-72-4), with molecular formula C20H23NO and molecular weight 293.18 g/mol. IUPAC: 4-(4-heptoxyphenyl)benzonitrile.
Chemical Property Profile of (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
Property Insights of (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
The XLogP value of 6.1 indicates that (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)- 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'-(heptyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)- 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'-(heptyloxy)-?
The CAS number of (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)- is 52364-72-4.
What is the molecular formula of (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-?
The molecular formula of (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)- is C20H23NO.
What is the molecular weight of (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-?
The molecular weight of (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)- is 293.18 g/mol.
Where can I buy (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-?
You can request a quote for (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)- 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'-(heptyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.