(E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate
TL;DR: (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate (CAS 308296-54-0) is a chemical compound with molecular formula C18H19BrO6 and molecular weight 410.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-[(E)-4-ethoxy-4-oxobut-2-enoxy]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate, AS-871/15340154, ethyl 6-bromo-5-{[(2E)-4-ethoxy-4-oxobut-2-en-1-yl]oxy}-2-methyl-1-benzofuran-3-carboxylate, F1190-0017, ethyl 6-bromo-5-[(E)-4-ethoxy-4-oxobut-2-enoxy]-2-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C18H19BrO6 |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | 4.17852 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.0365 |
| Heavy Atoms | 25 |
| Complexity | 805.48944 |
Chemical Identifiers
| CAS Number | 308296-54-0 |
|---|---|
| SMILES | CCOC(=O)/C=C/COC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OCC)Br |
Product Overview
(E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate (CAS 308296-54-0), with molecular formula C18H19BrO6 and molecular weight 410.04 g/mol. IUPAC: ethyl 6-bromo-5-[(E)-4-ethoxy-4-oxobut-2-enoxy]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate
Property Insights of (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate
The XLogP value of 4.17852 indicates that (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate?
The CAS number of (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate is 308296-54-0.
What is the molecular formula of (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate?
The molecular formula of (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate is C18H19BrO6.
What is the molecular weight of (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate?
The molecular weight of (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate is 410.04 g/mol.
Where can I buy (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate?
You can request a quote for (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 6-bromo-5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.