![3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile structure](/static/products/6802/680215-63-8.webp)
3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile
TL;DR: 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile (CAS 680215-63-8) is a chemical compound with molecular formula C16H11ClFN and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enenitrile
Also Known As: 3-chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile, (Z)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enenitrile, 3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enenitrile
| Molecular Formula | C16H11ClFN |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 4.98608 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0564 |
| Heavy Atoms | 19 |
| Complexity | 665.89343 |
Chemical Identifiers
| CAS Number | 680215-63-8 |
|---|---|
| SMILES | C/C(=C(\C1=CC=C(C=C1)C2=CC=CC=C2F)/Cl)/C#N |
Product Overview
3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile (CAS 680215-63-8), with molecular formula C16H11ClFN and molecular weight 271.06 g/mol. IUPAC: (Z)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enenitrile.
Chemical Property Profile of 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile
Property Insights of 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile
The XLogP value of 4.98608 indicates that 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile 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-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile 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-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile?
The CAS number of 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile is 680215-63-8.
What is the molecular formula of 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile?
The molecular formula of 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile is C16H11ClFN.
What is the molecular weight of 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile?
The molecular weight of 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile is 271.06 g/mol.
Where can I buy 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile?
You can request a quote for 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.