4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline
TL;DR: 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline (CAS 57688-17-2) is a chemical compound with molecular formula C13H9ClF3NO and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline
Also Known As: 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline, 7-Hydroxyflavone, 4- -3- ANILINE, 4-(4-Chlorophenoxy)-3-(trifluoromethyl), 4-(4-chlorophenoxy)-3-trifluoromethylphenylamine
| Molecular Formula | C13H9ClF3NO |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.03247 |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 57688-17-2 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C=C2)N)C(F)(F)F)Cl |
| InChIKey | LEIVFIRDFAJXDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline (CAS 57688-17-2), with molecular formula C13H9ClF3NO and molecular weight 287.03 g/mol. IUPAC: 4-(4-chlorophenoxy)-3-(trifluoromethyl)aniline.
Chemical Property Profile of 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline
Property Insights of 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline
The XLogP value of 4.3 indicates that 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 5 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-Chlorophenoxy)-3-(trifluoromethyl)aniline?
The CAS number of 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline is 57688-17-2.
What is the molecular formula of 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline?
The molecular formula of 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline is C13H9ClF3NO.
What is the molecular weight of 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline?
The molecular weight of 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline is 287.03 g/mol.
Where can I buy 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline?
You can request a quote for 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.