![4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile structure](/static/products/893/893734-93-5.png)
4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile
TL;DR: 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile (CAS 893734-93-5) is a chemical compound with molecular formula C13H7ClFN and molecular weight 231.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3-fluorophenyl)benzonitrile
Also Known As: 3-(4-chloro-3-fluorophenyl)benzonitrile, 3-(4-chloro-3-fluoro-phenyl)benzonitrile, BB 0223032, 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile
| Molecular Formula | C13H7ClFN |
|---|---|
| Molecular Weight | 231.03 g/mol |
| LogP | 4.01778 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.0251 |
| Heavy Atoms | 16 |
| Complexity | 572.38556 |
Chemical Identifiers
| CAS Number | 893734-93-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C2=CC(=C(C=C2)Cl)F)C#N |
Product Overview
4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile (CAS 893734-93-5), with molecular formula C13H7ClFN and molecular weight 231.03 g/mol. IUPAC: 3-(4-chloro-3-fluorophenyl)benzonitrile.
Chemical Property Profile of 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile
Property Insights of 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile
The XLogP value of 4.01778 indicates that 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-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'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-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'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile?
The CAS number of 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile is 893734-93-5.
What is the molecular formula of 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile?
The molecular formula of 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile is C13H7ClFN.
What is the molecular weight of 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile?
The molecular weight of 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile is 231.03 g/mol.
Where can I buy 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile?
You can request a quote for 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chloro-3'-fluoro[1,1'-biphenyl]-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.