![ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate structure](/static/products/383/383899-98-7.png)
ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate
TL;DR: ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate (CAS 383899-98-7) is a chemical compound with molecular formula C20H25BrO4 and molecular weight 408.09 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-(3-methylbut-2-enoxy)-1-benzofuran-3-carboxylate
Also Known As: ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate, ethyl 6-bromo-2-(tert-butyl)-5-((3-methylbut-2-en-1-yl)oxy)benzofuran-3-carboxylate, ethyl 6-bromo-2-tert-butyl-5-(3-methylbut-2-enoxy)-1-benzofuran-3-carboxylate, ethyl 6-bromo-2-tert-butyl-5-[(3-methylbut-2-en-1-yl)oxy]-1-benzofuran-3-carboxylate
| Molecular Formula | C20H25BrO4 |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 6.0145 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.09363 |
| Heavy Atoms | 25 |
| Complexity | 805.191 |
Chemical Identifiers
| CAS Number | 383899-98-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC=C(C)C)Br)C(C)(C)C |
Product Overview
ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate (CAS 383899-98-7), with molecular formula C20H25BrO4 and molecular weight 408.09 g/mol. IUPAC: ethyl 6-bromo-2-tert-butyl-5-(3-methylbut-2-enoxy)-1-benzofuran-3-carboxylate.
Chemical Property Profile of ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate
Property Insights of ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate
The XLogP value of 6.0145 indicates that ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate 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 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate 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 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate?
The CAS number of ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate is 383899-98-7.
What is the molecular formula of ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate?
The molecular formula of ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate is C20H25BrO4.
What is the molecular weight of ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate?
The molecular weight of ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate is 408.09 g/mol.
Where can I buy ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate?
You can request a quote for ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(tert-butyl)-6-bromo-5-(3-methylbut-2-enyloxy)benzo[b]furan-3-carboxyl ate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.