![[1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- structure](/static/products/4112/41122-71-8.webp)
[1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-
TL;DR: [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- (CAS 41122-71-8) is a chemical compound with molecular formula C20H23N and molecular weight 277.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-heptylphenyl)benzonitrile
Also Known As: 4-Cyano-4'-heptylbiphenyl, 4'-Heptyl-4-biphenylcarbonitrile, 4'-Heptyl-[1,1'-biphenyl]-4-carbonitrile, 4-(4-heptylphenyl)benzonitrile, [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-
| Molecular Formula | C20H23N |
|---|---|
| Molecular Weight | 277.18 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.18304 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 41122-71-8 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | ZGOWXOZNUNZPAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- (CAS 41122-71-8), with molecular formula C20H23N and molecular weight 277.18 g/mol. IUPAC: 4-(4-heptylphenyl)benzonitrile.
Chemical Property Profile of [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-
Property Insights of [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-
The XLogP value of 6.8 indicates that [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- 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'-heptyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- 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'-heptyl-?
The CAS number of [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- is 41122-71-8.
What is the molecular formula of [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-?
The molecular formula of [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- is C20H23N.
What is the molecular weight of [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-?
The molecular weight of [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- is 277.18 g/mol.
Where can I buy [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-?
You can request a quote for [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- 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'-heptyl-?
Yes, KEHONG BIO provides custom synthesis services for [1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.