![4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile structure](/static/products/4287/42874-97-5.webp)
4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile
TL;DR: 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile (CAS 42874-97-5) is a chemical compound with molecular formula C14H9F3N2O and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-amino-4-(trifluoromethyl)phenoxy]benzonitrile
Also Known As: 4-[2-amino-4-(trifluoromethyl)phenoxy]benzonitrile, Maybridge1_000700, I14-62471
| Molecular Formula | C14H9F3N2O |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 3.95158 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0667 |
| Heavy Atoms | 20 |
| Complexity | 657.59973 |
Chemical Identifiers
| CAS Number | 42874-97-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC2=C(C=C(C=C2)C(F)(F)F)N |
Product Overview
4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile (CAS 42874-97-5), with molecular formula C14H9F3N2O and molecular weight 278.07 g/mol. IUPAC: 4-[2-amino-4-(trifluoromethyl)phenoxy]benzonitrile.
Chemical Property Profile of 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile
Property Insights of 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile
The XLogP value of 3.95158 indicates that 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.04 Ų, 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile has 1 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-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile?
The CAS number of 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile is 42874-97-5.
What is the molecular formula of 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile?
The molecular formula of 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile is C14H9F3N2O.
What is the molecular weight of 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile?
The molecular weight of 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile is 278.07 g/mol.
Where can I buy 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile?
You can request a quote for 4-[2-Amino-4-(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-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.