(1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-
TL;DR: (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl- (CAS 54211-46-0) is a chemical compound with molecular formula C24H23N and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-pentylphenyl)phenyl]benzonitrile
Also Known As: 4-Cyano-4'-pentylterphenyl, 4''-Pentyl-[1,1':4',1''-terphenyl]-4-carbonitrile, 4-Cyano-4''-N-pentyl-p-terphenyl, Fluorescent LC, 4-Cyano-4''-pentyl-p-terphenyl
| Molecular Formula | C24H23N |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.18304 |
| Heavy Atoms | 25 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 54211-46-0 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N |
| InChIKey | AITQOXOBSMXBRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl- (CAS 54211-46-0), with molecular formula C24H23N and molecular weight 325.18 g/mol. IUPAC: 4-[4-(4-pentylphenyl)phenyl]benzonitrile.
Chemical Property Profile of (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-
Property Insights of (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-
The XLogP value of 7.0 indicates that (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl- 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 (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-?
The CAS number of (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl- is 54211-46-0.
What is the molecular formula of (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-?
The molecular formula of (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl- is C24H23N.
What is the molecular weight of (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-?
The molecular weight of (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl- is 325.18 g/mol.
Where can I buy (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-?
You can request a quote for (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.