Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate
TL;DR: Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate (CAS 488841-38-9) is a chemical compound with molecular formula C19H23BrO4 and molecular weight 394.08 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-methylprop-2-enoxy)-1-benzofuran-3-carboxylate
Also Known As: ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate, AF-399/41500667, ethyl 6-bromo-2-tert-butyl-5-[(2-methylprop-2-en-1-yl)oxy]-1-benzofuran-3-carboxylate, ethyl 6-bromo-2-tert-butyl-5-(2-methylprop-2-enoxy)-1-benzofuran-3-carboxylate, F1190-0257
| Molecular Formula | C19H23BrO4 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 5.6244 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.07797 |
| Heavy Atoms | 24 |
| Complexity | 780.7412 |
Chemical Identifiers
| CAS Number | 488841-38-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC(=C)C)Br)C(C)(C)C |
Product Overview
Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate (CAS 488841-38-9), with molecular formula C19H23BrO4 and molecular weight 394.08 g/mol. IUPAC: ethyl 6-bromo-2-tert-butyl-5-(2-methylprop-2-enoxy)-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate
Property Insights of Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate
The XLogP value of 5.6244 indicates that Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)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-(tert-butyl)-5-((2-methylallyl)oxy)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-((2-methylallyl)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-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate?
The CAS number of Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate is 488841-38-9.
What is the molecular formula of Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate?
The molecular formula of Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate is C19H23BrO4.
What is the molecular weight of Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate?
The molecular weight of Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate is 394.08 g/mol.
Where can I buy Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate?
You can request a quote for Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)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-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-bromo-2-(tert-butyl)-5-((2-methylallyl)oxy)benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.