![3-Fluoro-[1,1'-biphenyl]-4-carbonitrile structure](/static/products/5031/503177-15-9.webp)
3-Fluoro-[1,1'-biphenyl]-4-carbonitrile
TL;DR: 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile (CAS 503177-15-9) 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.
2-fluoro-4-phenylbenzonitrile
Also Known As: 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile, 2-fluoro-4-phenylbenzonitrile, 3-Fluoro[1,1'-biphenyl]-4-carbonitrile, 4-Cyano-3-fluorobiphenyl, fluorobiphenylcarbonitrile
| 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 | 511.80432 |
Chemical Identifiers
| CAS Number | 503177-15-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)F |
Product Overview
3-Fluoro-[1,1'-biphenyl]-4-carbonitrile (CAS 503177-15-9), with molecular formula C13H8FN and molecular weight 197.06 g/mol. IUPAC: 2-fluoro-4-phenylbenzonitrile.
Chemical Property Profile of 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile
Property Insights of 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile
The XLogP value of 3.36438 indicates that 3-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, 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile?
The CAS number of 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile is 503177-15-9.
What is the molecular formula of 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile?
The molecular formula of 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile is C13H8FN.
What is the molecular weight of 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile?
The molecular weight of 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile is 197.06 g/mol.
Where can I buy 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile?
You can request a quote for 3-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 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-[1,1'-biphenyl]-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.