4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
TL;DR: 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile (CAS 95711-33-4) is a chemical compound with molecular formula C13H6ClF3N2O and molecular weight 298.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
Also Known As: Maybridge3_007046, 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile, 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-oxy}benzenecarbonitrile, 4413AF, IDI1_018433
| Molecular Formula | C13H6ClF3N2O |
|---|---|
| Molecular Weight | 298.01 g/mol |
| LogP | 4.41778 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0121 |
| Heavy Atoms | 20 |
| Complexity | 662.797 |
Chemical Identifiers
| CAS Number | 95711-33-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile (CAS 95711-33-4), with molecular formula C13H6ClF3N2O and molecular weight 298.01 g/mol. IUPAC: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile.
Chemical Property Profile of 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
Property Insights of 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
The XLogP value of 4.41778 indicates that 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile has 0 hydrogen bond donor(s) and 3 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-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile?
The CAS number of 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile is 95711-33-4.
What is the molecular formula of 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile?
The molecular formula of 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile is C13H6ClF3N2O.
What is the molecular weight of 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile?
The molecular weight of 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile is 298.01 g/mol.
Where can I buy 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile?
You can request a quote for 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.