Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate
TL;DR: Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate (CAS 55212-01-6) is a chemical compound with molecular formula C19H20F3NO4 and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-hydroxy-3-[3-(trifluoromethyl)anilino]propoxy]benzoate
Also Known As: Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate, Benzoic acid, 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)-, ethyl ester, ethyl 2-[2-hydroxy-3-[3-(trifluoromethyl)anilino]propoxy]benzoate, Ethyl 2-{2-hydroxy-3-[3-(trifluoromethyl)anilino]propoxy}benzoate, BRN 2184349
| Molecular Formula | C19H20F3NO4 |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.7339 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.13443 |
| Heavy Atoms | 27 |
| Complexity | 764.6151 |
Chemical Identifiers
| CAS Number | 55212-01-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1OCC(CNC2=CC=CC(=C2)C(F)(F)F)O |
Product Overview
Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate (CAS 55212-01-6), with molecular formula C19H20F3NO4 and molecular weight 383.13 g/mol. IUPAC: ethyl 2-[2-hydroxy-3-[3-(trifluoromethyl)anilino]propoxy]benzoate.
Chemical Property Profile of Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate
Property Insights of Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate
The XLogP value of 3.7339 indicates that Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate. Following Lipinski's Rule of Five, Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate has 2 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 Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate?
The CAS number of Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate is 55212-01-6.
What is the molecular formula of Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate?
The molecular formula of Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate is C19H20F3NO4.
What is the molecular weight of Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate?
The molecular weight of Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate is 383.13 g/mol.
Where can I buy Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate?
You can request a quote for Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)propoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.