4-(4-Chloro-3-fluorophenoxy)benzonitrile
TL;DR: 4-(4-Chloro-3-fluorophenoxy)benzonitrile (CAS 449778-68-1) is a chemical compound with molecular formula C13H7ClFNO and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-3-fluorophenoxy)benzonitrile
Also Known As: 4-(4-chloro-3-fluorophenoxy)benzonitrile, 4-(4-Chloro-3-fluorophenoxy)benzenecarbonitrile, chlorofluorophenoxybenzenecarbonitrile, 4-(4-chloro-3-fluoro-phenoxy)benzonitrile, 1P-097
| Molecular Formula | C13H7ClFNO |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 4.14308 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.02002 |
| Heavy Atoms | 17 |
| Complexity | 574.9636 |
Chemical Identifiers
| CAS Number | 449778-68-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC2=CC(=C(C=C2)Cl)F |
Product Overview
4-(4-Chloro-3-fluorophenoxy)benzonitrile (CAS 449778-68-1), with molecular formula C13H7ClFNO and molecular weight 247.02 g/mol. IUPAC: 4-(4-chloro-3-fluorophenoxy)benzonitrile.
Chemical Property Profile of 4-(4-Chloro-3-fluorophenoxy)benzonitrile
Property Insights of 4-(4-Chloro-3-fluorophenoxy)benzonitrile
The XLogP value of 4.14308 indicates that 4-(4-Chloro-3-fluorophenoxy)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, 4-(4-Chloro-3-fluorophenoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chloro-3-fluorophenoxy)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 4-(4-Chloro-3-fluorophenoxy)benzonitrile?
The CAS number of 4-(4-Chloro-3-fluorophenoxy)benzonitrile is 449778-68-1.
What is the molecular formula of 4-(4-Chloro-3-fluorophenoxy)benzonitrile?
The molecular formula of 4-(4-Chloro-3-fluorophenoxy)benzonitrile is C13H7ClFNO.
What is the molecular weight of 4-(4-Chloro-3-fluorophenoxy)benzonitrile?
The molecular weight of 4-(4-Chloro-3-fluorophenoxy)benzonitrile is 247.02 g/mol.
Where can I buy 4-(4-Chloro-3-fluorophenoxy)benzonitrile?
You can request a quote for 4-(4-Chloro-3-fluorophenoxy)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-Chloro-3-fluorophenoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-3-fluorophenoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.