![Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate structure](/static/products/384/384800-79-7.png)
Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate
TL;DR: Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate (CAS 384800-79-7) is a chemical compound with molecular formula C22H18BrF5O4 and molecular weight 520.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-tert-butyl-5-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-benzofuran-3-carboxylate
Also Known As: ethyl 6-bromo-2-(tert-butyl)-5-((perfluorophenyl)methoxy)benzofuran-3-carboxylate, ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate, ethyl 2-(tert-butyl)-6-bromo-5-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzo[b]f uran-3-carboxylate, ethyl 6-bromo-2-tert-butyl-5-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-benzofuran-3-carboxylate, Ethyl 6-bromo-5-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-tert-butyl-benzofuran-3-carboxylate
| Molecular Formula | C22H18BrF5O4 |
|---|---|
| Molecular Weight | 520.03 g/mol |
| LogP | 6.944 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.0309 |
| Heavy Atoms | 32 |
| Complexity | 1184.7174 |
Chemical Identifiers
| CAS Number | 384800-79-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=C(C(=C(C(=C3F)F)F)F)F)Br)C(C)(C)C |
Product Overview
Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate (CAS 384800-79-7), with molecular formula C22H18BrF5O4 and molecular weight 520.03 g/mol. IUPAC: ethyl 6-bromo-2-tert-butyl-5-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate
Property Insights of Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate
The XLogP value of 6.944 indicates that Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-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-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-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-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate?
The CAS number of Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate is 384800-79-7.
What is the molecular formula of Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate?
The molecular formula of Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate is C22H18BrF5O4.
What is the molecular weight of Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate?
The molecular weight of Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate is 520.03 g/mol.
Where can I buy Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate?
You can request a quote for Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-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-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.