4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile
TL;DR: 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile (CAS 52364-70-2) is a chemical compound with molecular formula C18H19NO and molecular weight 265.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-methylbutoxy)phenyl]benzonitrile
Also Known As: 4'-(2-methylbutoxy)[1,1'-biphenyl]-4-carbonitrile, 4-[4-(2-methylbutoxy)phenyl]benzonitrile, 4-Cyano-4'-(2-methylbutoxy)biphenyl, 4'- [1,1'-biphenyl]-4-carbonitrile, 4'-(2-methylbutoxy)biphenyl-4-carbonitrile
| Molecular Formula | C18H19NO |
|---|---|
| Molecular Weight | 265.15 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.14667 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 52364-70-2 |
|---|---|
| SMILES | CCC(C)COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | WBUQBWQWNDKJJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile (CAS 52364-70-2), with molecular formula C18H19NO and molecular weight 265.15 g/mol. IUPAC: 4-[4-(2-methylbutoxy)phenyl]benzonitrile.
Chemical Property Profile of 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile
Property Insights of 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile
The XLogP value of 4.9 indicates that 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile?
The CAS number of 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile is 52364-70-2.
What is the molecular formula of 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile?
The molecular formula of 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile is C18H19NO.
What is the molecular weight of 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile?
The molecular weight of 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile is 265.15 g/mol.
Where can I buy 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile?
You can request a quote for 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.