![4'-(己氧基)-[1,1'-联苯]-4-甲腈 structure](/static/products/5401/54016-23-8.webp)
4'-(己氧基)-[1,1'-联苯]-4-甲腈
TL;DR: 4'-(己氧基)-[1,1'-联苯]-4-甲腈 (CAS 54016-23-8) is a chemical compound with molecular formula C19H21NO and molecular weight 279.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-(己氧基)-[1,1'-联苯]-4-甲腈
4-(4-hexoxyphenyl)benzonitrile
Also Known As: 6OCB, 4'-(Hexyloxy)-4-biphenylcarbonitrile, 4-(4-hexoxyphenyl)benzonitrile, Liquid crystal 549, 4'-Hexyloxy-[1,1'-biphenyl]-4-carbonitrile
| Molecular Formula | C19H21NO |
|---|---|
| Molecular Weight | 279.16 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.16232 |
| Heavy Atoms | 21 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 54016-23-8 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | YUYXUPYNSOFWFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-(己氧基)-[1,1'-联苯]-4-甲腈 (CAS 54016-23-8), with molecular formula C19H21NO and molecular weight 279.16 g/mol. IUPAC: 4-(4-hexoxyphenyl)benzonitrile.
Chemical Property Profile of 4'-(己氧基)-[1,1'-联苯]-4-甲腈
Property Insights of 4'-(己氧基)-[1,1'-联苯]-4-甲腈
The XLogP value of 5.6 indicates that 4'-(己氧基)-[1,1'-联苯]-4-甲腈 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'-(己氧基)-[1,1'-联苯]-4-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-(己氧基)-[1,1'-联苯]-4-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'-(己氧基)-[1,1'-联苯]-4-甲腈?
The CAS number of 4'-(己氧基)-[1,1'-联苯]-4-甲腈 is 54016-23-8.
What is the molecular formula of 4'-(己氧基)-[1,1'-联苯]-4-甲腈?
The molecular formula of 4'-(己氧基)-[1,1'-联苯]-4-甲腈 is C19H21NO.
What is the molecular weight of 4'-(己氧基)-[1,1'-联苯]-4-甲腈?
The molecular weight of 4'-(己氧基)-[1,1'-联苯]-4-甲腈 is 279.16 g/mol.
Where can I buy 4'-(己氧基)-[1,1'-联苯]-4-甲腈?
You can request a quote for 4'-(己氧基)-[1,1'-联苯]-4-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'-(己氧基)-[1,1'-联苯]-4-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4'-(己氧基)-[1,1'-联苯]-4-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.