(1,1'-Biphenyl)-4-carbonitrile
TL;DR: (1,1'-Biphenyl)-4-carbonitrile (CAS 2920-38-9) is a chemical compound with molecular formula C13H9N and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbenzonitrile
Also Known As: 4-CYANOBIPHENYL, 4-Phenylbenzonitrile, [1,1'-Biphenyl]-4-carbonitrile, 4-Biphenylcarbonitrile, p-Cyanobiphenyl
| Molecular Formula | C13H9N |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0735 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 2920-38-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | BPMBNLJJRKCCRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Biphenyl)-4-carbonitrile (CAS 2920-38-9), with molecular formula C13H9N and molecular weight 179.07 g/mol. IUPAC: 4-phenylbenzonitrile.
Chemical Property Profile of (1,1'-Biphenyl)-4-carbonitrile
Property Insights of (1,1'-Biphenyl)-4-carbonitrile
The XLogP value of 3.7 indicates that (1,1'-Biphenyl)-4-carbonitrile 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-4-carbonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1,1'-Biphenyl)-4-carbonitrile?
The CAS number of (1,1'-Biphenyl)-4-carbonitrile is 2920-38-9.
What is the molecular formula of (1,1'-Biphenyl)-4-carbonitrile?
The molecular formula of (1,1'-Biphenyl)-4-carbonitrile is C13H9N.
What is the molecular weight of (1,1'-Biphenyl)-4-carbonitrile?
The molecular weight of (1,1'-Biphenyl)-4-carbonitrile is 179.07 g/mol.
Where can I buy (1,1'-Biphenyl)-4-carbonitrile?
You can request a quote for (1,1'-Biphenyl)-4-carbonitrile 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?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.