4-(4-Chlorophenyl)benzonitrile
TL;DR: 4-(4-Chlorophenyl)benzonitrile (CAS 57774-36-4) is a chemical compound with molecular formula C13H8ClN and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)benzonitrile
Also Known As: 4-(4-chlorophenyl)benzonitrile, 4'-chloro-4-cyanobiphenyl, 4'-Chloro-[1,1'-biphenyl]-4-carbonitrile, 4-chloro-4-cyanobiphenyl, 4-(4'-chlorophenyl)benzonitrile
| Molecular Formula | C13H8ClN |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | 3.87868 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.03453 |
| Heavy Atoms | 15 |
| Complexity | 491.55432 |
Chemical Identifiers
| CAS Number | 57774-36-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)Cl |
Product Overview
4-(4-Chlorophenyl)benzonitrile (CAS 57774-36-4), with molecular formula C13H8ClN and molecular weight 213.03 g/mol. IUPAC: 4-(4-chlorophenyl)benzonitrile.
Chemical Property Profile of 4-(4-Chlorophenyl)benzonitrile
Property Insights of 4-(4-Chlorophenyl)benzonitrile
The XLogP value of 3.87868 indicates that 4-(4-Chlorophenyl)benzonitrile 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-(4-Chlorophenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)benzonitrile 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-(4-Chlorophenyl)benzonitrile?
The CAS number of 4-(4-Chlorophenyl)benzonitrile is 57774-36-4.
What is the molecular formula of 4-(4-Chlorophenyl)benzonitrile?
The molecular formula of 4-(4-Chlorophenyl)benzonitrile is C13H8ClN.
What is the molecular weight of 4-(4-Chlorophenyl)benzonitrile?
The molecular weight of 4-(4-Chlorophenyl)benzonitrile is 213.03 g/mol.
Where can I buy 4-(4-Chlorophenyl)benzonitrile?
You can request a quote for 4-(4-Chlorophenyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.