Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
TL;DR: Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate (CAS 100804-98-6) is a chemical compound with molecular formula C16H18O5 and molecular weight 290.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
Also Known As: starbld0014114, ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate, Ethyl 4-(5-methoxy-2-methylbenzofuran-3-yl)-4-oxobutanoate, ethyl 4-(5-methoxy-2-methyl-benzofuran-3-yl)-4-oxo-butanoate, 4-(5-Methoxy-2-methyl-benzofuran-3-yl)-4-oxo-butyric acid ethyl ester
| Molecular Formula | C16H18O5 |
|---|---|
| Molecular Weight | 290.12 g/mol |
| LogP | 3.27582 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.11542 |
| Heavy Atoms | 21 |
| Complexity | 668.60236 |
Chemical Identifiers
| CAS Number | 100804-98-6 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C1=C(OC2=C1C=C(C=C2)OC)C |
Product Overview
Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate (CAS 100804-98-6), with molecular formula C16H18O5 and molecular weight 290.12 g/mol. IUPAC: ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
Property Insights of Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
The XLogP value of 3.27582 indicates that Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate has 0 hydrogen bond donor(s) and 5 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 Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate?
The CAS number of Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate is 100804-98-6.
What is the molecular formula of Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate?
The molecular formula of Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate is C16H18O5.
What is the molecular weight of Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate?
The molecular weight of Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate is 290.12 g/mol.
Where can I buy Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate?
You can request a quote for Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.