4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile
TL;DR: 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile (CAS 10540-31-5) is a chemical compound with molecular formula C13H8FN and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)benzonitrile
Also Known As: 4-(4-Fluorophenyl)benzonitrile, 4'-Fluoro-[1,1'-biphenyl]-4-carbonitrile, 4-cyano-4'-fluorobiphenyl, 4-Fluoro-4 -cyanobiphenyl, 4-fluoro-4-biphenylcarbonitrile
| Molecular Formula | C13H8FN |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | 3.36438 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.06407 |
| Heavy Atoms | 15 |
| Complexity | 491.55432 |
Chemical Identifiers
| CAS Number | 10540-31-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)F |
Product Overview
4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile (CAS 10540-31-5), with molecular formula C13H8FN and molecular weight 197.06 g/mol. IUPAC: 4-(4-fluorophenyl)benzonitrile.
Chemical Property Profile of 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile
Property Insights of 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile
The XLogP value of 3.36438 indicates that 4'-Fluoro-(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 23.79 Ų, 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Fluoro-(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 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile?
The CAS number of 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile is 10540-31-5.
What is the molecular formula of 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile?
The molecular formula of 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile is C13H8FN.
What is the molecular weight of 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile?
The molecular weight of 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile is 197.06 g/mol.
Where can I buy 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile?
You can request a quote for 4'-Fluoro-(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 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.