ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate
TL;DR: ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate (CAS 383903-89-7) is a chemical compound with molecular formula C20H16BrF3O4 and molecular weight 456.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-3-carboxylate
Also Known As: ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate, ethyl 6-bromo-2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-3-carboxylate, Ethyl 6-bromo-2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]benzofuran-3-carboxylate, ethyl 6-bromo-2-methyl-5-{[4-(trifluoromethyl)benzyl]oxy}-1-benzofuran-3-carboxylate, ethyl 6-bromo-2-methyl-5-{[4-(trifluoromethyl)phenyl]methoxy}benzo[b]furan-3-c arboxylate
| Molecular Formula | C20H16BrF3O4 |
|---|---|
| Molecular Weight | 456.02 g/mol |
| LogP | 6.27822 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.0184 |
| Heavy Atoms | 28 |
| Complexity | 1006.94806 |
Chemical Identifiers
| CAS Number | 383903-89-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=C(C=C3)C(F)(F)F)Br)C |
Product Overview
ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate (CAS 383903-89-7), with molecular formula C20H16BrF3O4 and molecular weight 456.02 g/mol. IUPAC: ethyl 6-bromo-2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-3-carboxylate.
Chemical Property Profile of ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate
Property Insights of ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate
The XLogP value of 6.27822 indicates that ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.67 Ų, ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate?
The CAS number of ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate is 383903-89-7.
What is the molecular formula of ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate?
The molecular formula of ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate is C20H16BrF3O4.
What is the molecular weight of ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate?
The molecular weight of ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate is 456.02 g/mol.
Where can I buy ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate?
You can request a quote for ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-bromo-2-methyl-5-((4-(trifluoromethyl)benzyl)oxy)benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.