Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate
TL;DR: Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate (CAS 565192-81-6) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate
Also Known As: ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate, 3-Methyl-5-(3-oxo-butyl)-benzofuran-2-carboxylic acid ethyl ester, Ethyl 3-methyl-5-(3-oxobutyl)-2-benzofurancarboxylate, ethyl 3-methyl-5-(3-oxobutyl)benzofuran-2-carboxylate, ethyl3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 3.43952 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 651.78577 |
Chemical Identifiers
| CAS Number | 565192-81-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)CCC(=O)C)C |
Product Overview
Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate (CAS 565192-81-6), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate
Property Insights of Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate
The XLogP value of 3.43952 indicates that Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate?
The CAS number of Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate is 565192-81-6.
What is the molecular formula of Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate is C16H18O4.
What is the molecular weight of Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate is 274.12 g/mol.
Where can I buy Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.