4-氰基-4'-戊基联苯
TL;DR: 4-氰基-4'-戊基联苯 (CAS 40817-08-1) is a chemical compound with molecular formula C18H19N and molecular weight 249.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氰基-4'-戊基联苯
4-(4-pentylphenyl)benzonitrile
Also Known As: 4-Cyano-4'-pentylbiphenyl, 4'-Pentyl-[1,1'-biphenyl]-4-carbonitrile, 4-Cyano-4'-n-pentylbiphenyl, 4-(4-pentylphenyl)benzonitrile, 4-Pentyl-4'-cyanobiphenyl
| Molecular Formula | C18H19N |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.15175 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 40817-08-1 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | HHPCNRKYVYWYAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氰基-4'-戊基联苯 (CAS 40817-08-1), with molecular formula C18H19N and molecular weight 249.15 g/mol. IUPAC: 4-(4-pentylphenyl)benzonitrile.
Chemical Property Profile of 4-氰基-4'-戊基联苯
Property Insights of 4-氰基-4'-戊基联苯
The XLogP value of 5.4 indicates that 4-氰基-4'-戊基联苯 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-氰基-4'-戊基联苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氰基-4'-戊基联苯 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-氰基-4'-戊基联苯?
The CAS number of 4-氰基-4'-戊基联苯 is 40817-08-1.
What is the molecular formula of 4-氰基-4'-戊基联苯?
The molecular formula of 4-氰基-4'-戊基联苯 is C18H19N.
What is the molecular weight of 4-氰基-4'-戊基联苯?
The molecular weight of 4-氰基-4'-戊基联苯 is 249.15 g/mol.
Where can I buy 4-氰基-4'-戊基联苯?
You can request a quote for 4-氰基-4'-戊基联苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氰基-4'-戊基联苯?
Yes, KEHONG BIO provides custom synthesis services for 4-氰基-4'-戊基联苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.