(E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate
TL;DR: (E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate (CAS 308295-19-4) is a chemical compound with molecular formula C17H18O6 and molecular weight 318.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(E)-4-ethoxy-4-oxobut-2-enoxy]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: BIM-0003448.P001, VU0509329-1, F3110-2495, (E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate, METHYL 5-{[(2E)-4-ETHOXY-4-OXOBUT-2-EN-1-YL]OXY}-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE
| Molecular Formula | C17H18O6 |
|---|---|
| Molecular Weight | 318.11 g/mol |
| LogP | 3.02592 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.11035 |
| Heavy Atoms | 23 |
| Complexity | 740.8667 |
Chemical Identifiers
| CAS Number | 308295-19-4 |
|---|---|
| SMILES | CCOC(=O)/C=C/COC1=CC2=C(C=C1)OC(=C2C(=O)OC)C |
Product Overview
(E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate (CAS 308295-19-4), with molecular formula C17H18O6 and molecular weight 318.11 g/mol. IUPAC: methyl 5-[(E)-4-ethoxy-4-oxobut-2-enoxy]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of (E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate
Property Insights of (E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate
The XLogP value of 3.02592 indicates that (E)-methyl 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)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 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)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate?
The CAS number of (E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate is 308295-19-4.
What is the molecular formula of (E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate?
The molecular formula of (E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate is C17H18O6.
What is the molecular weight of (E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate?
The molecular weight of (E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate is 318.11 g/mol.
Where can I buy (E)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate?
You can request a quote for (E)-methyl 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)-methyl 5-((4-ethoxy-4-oxobut-2-en-1-yl)oxy)-2-methylbenzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 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.