![3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile structure](/static/products/5516/5516-26-7.webp)
3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile
TL;DR: 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile (CAS 5516-26-7) is a chemical compound with molecular formula C14H9ClFNO and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-[(4-fluorophenyl)methoxy]benzonitrile
Also Known As: 3-chloro-4-[(4-fluorophenyl)methoxy]benzonitrile, 3-Chloro-4-((4-fluorobenzyl)oxy)benzonitrile, A1-05451
| Molecular Formula | C14H9ClFNO |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 3.92978 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.03568 |
| Heavy Atoms | 18 |
| Complexity | 589.7333 |
Chemical Identifiers
| CAS Number | 5516-26-7 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=C(C=C(C=C2)C#N)Cl)F |
Product Overview
3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile (CAS 5516-26-7), with molecular formula C14H9ClFNO and molecular weight 261.04 g/mol. IUPAC: 3-chloro-4-[(4-fluorophenyl)methoxy]benzonitrile.
Chemical Property Profile of 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile
Property Insights of 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile
The XLogP value of 3.92978 indicates that 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile has 0 hydrogen bond donor(s) and 2 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-4-[(4-fluorophenyl)methoxy]benzonitrile?
The CAS number of 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile is 5516-26-7.
What is the molecular formula of 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile?
The molecular formula of 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile is C14H9ClFNO.
What is the molecular weight of 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile?
The molecular weight of 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile is 261.04 g/mol.
Where can I buy 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile?
You can request a quote for 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-[(4-fluorophenyl)methoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.