![[1,1'-Biphenyl]-4-carbonitrile, 4'-butyl- structure](/static/products/5270/52709-83-8.webp)
[1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-
TL;DR: [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl- (CAS 52709-83-8) is a chemical compound with molecular formula C17H17N and molecular weight 235.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-butylphenyl)benzonitrile
Also Known As: 4'-Butyl-[1,1'-Biphenyl]-4-carbonitrile, 4-Cyano-4'-butylbiphenyl, 4'-Butyl-4-biphenylcarbonitrile, 4-BUTYL-4'-CYANOBIPHENYL, 4-(4-butylphenyl)benzonitrile
| Molecular Formula | C17H17N |
|---|---|
| Molecular Weight | 235.14 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.1361 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 52709-83-8 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | PJPLBHHDTUICNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1,1'-Biphenyl]-4-carbonitrile, 4'-butyl- (CAS 52709-83-8), with molecular formula C17H17N and molecular weight 235.14 g/mol. IUPAC: 4-(4-butylphenyl)benzonitrile.
Chemical Property Profile of [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-
Property Insights of [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-
The XLogP value of 5.1 indicates that [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl- 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'-Biphenyl]-4-carbonitrile, 4'-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl- 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'-Biphenyl]-4-carbonitrile, 4'-butyl-?
The CAS number of [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl- is 52709-83-8.
What is the molecular formula of [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-?
The molecular formula of [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl- is C17H17N.
What is the molecular weight of [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-?
The molecular weight of [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl- is 235.14 g/mol.
Where can I buy [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-?
You can request a quote for [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-?
Yes, KEHONG BIO provides custom synthesis services for [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.