![4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile structure](/static/products/2431/243128-43-0.webp)
4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile
TL;DR: 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile (CAS 243128-43-0) is a chemical compound with molecular formula C15H7F6NO and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,5-bis(trifluoromethyl)phenoxy]benzonitrile
Also Known As: Maybridge1_007921, 4-[3,5-bis(trifluoromethyl)phenoxy]benzonitrile, 4-[3,5-DI(TRIFLUOROMETHYL)PHENOXY]BENZONITRILE, J3.466.844B, 4-(3,5-Bis(trifluoromethyl)phenoxy)benzonitrile
| Molecular Formula | C15H7F6NO |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | 5.38818 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.04318 |
| Heavy Atoms | 23 |
| Complexity | 708.28314 |
Chemical Identifiers
| CAS Number | 243128-43-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile (CAS 243128-43-0), with molecular formula C15H7F6NO and molecular weight 331.04 g/mol. IUPAC: 4-[3,5-bis(trifluoromethyl)phenoxy]benzonitrile.
Chemical Property Profile of 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile
Property Insights of 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile
The XLogP value of 5.38818 indicates that 4-[3,5-Bis(trifluoromethyl)phenoxy]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-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile?
The CAS number of 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile is 243128-43-0.
What is the molecular formula of 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile?
The molecular formula of 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile is C15H7F6NO.
What is the molecular weight of 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile?
The molecular weight of 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile is 331.04 g/mol.
Where can I buy 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile?
You can request a quote for 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[3,5-Bis(trifluoromethyl)phenoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.