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4'-己基-[1,1'-联苯]-4-甲腈
TL;DR: 4'-己基-[1,1'-联苯]-4-甲腈 (CAS 41122-70-7) is a chemical compound with molecular formula C19H21N and molecular weight 263.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-己基-[1,1'-联苯]-4-甲腈
4-(4-hexylphenyl)benzonitrile
Also Known As: 4-Hexyl-4'-cyanobiphenyl, 4'-Hexyl-4-biphenylcarbonitrile, 4-Cyano-4'-hexylbiphenyl, 4-(4-hexylphenyl)benzonitrile, 4'-Hexyl-[1,1'-biphenyl]-4-carbonitrile
| Molecular Formula | C19H21N |
|---|---|
| Molecular Weight | 263.17 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.1674 |
| Heavy Atoms | 20 |
| Complexity | 297.0 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 104.4 °C |
Chemical Identifiers
| CAS Number | 41122-70-7 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | VADSDVGLFDVIMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-己基-[1,1'-联苯]-4-甲腈 (CAS 41122-70-7), with molecular formula C19H21N and molecular weight 263.17 g/mol. IUPAC: 4-(4-hexylphenyl)benzonitrile.
Chemical Property Profile of 4'-己基-[1,1'-联苯]-4-甲腈
Property Insights of 4'-己基-[1,1'-联苯]-4-甲腈
The XLogP value of 6.2 indicates that 4'-己基-[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 23.8 Ų, 4'-己基-[1,1'-联苯]-4-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-己基-[1,1'-联苯]-4-甲腈 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'-己基-[1,1'-联苯]-4-甲腈?
The CAS number of 4'-己基-[1,1'-联苯]-4-甲腈 is 41122-70-7.
What is the molecular formula of 4'-己基-[1,1'-联苯]-4-甲腈?
The molecular formula of 4'-己基-[1,1'-联苯]-4-甲腈 is C19H21N.
What is the molecular weight of 4'-己基-[1,1'-联苯]-4-甲腈?
The molecular weight of 4'-己基-[1,1'-联苯]-4-甲腈 is 263.17 g/mol.
Where can I buy 4'-己基-[1,1'-联苯]-4-甲腈?
You can request a quote for 4'-己基-[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'-己基-[1,1'-联苯]-4-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4'-己基-[1,1'-联苯]-4-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.