Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate
TL;DR: Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate (CAS 52889-75-5) is a chemical compound with molecular formula C18H20O7 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate
Also Known As: Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate, Ethyl 7-acetyl-4,6-dihydroxy-3,5-dimethyl-I(2)-oxo-2-benzofuranbutanoate, ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-benzofuran-2-yl)-3-oxo-butanoate
| Molecular Formula | C18H20O7 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.1209 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 52889-75-5 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CC1=C(C2=C(O1)C(=C(C(=C2O)C)O)C(=O)C)C |
| InChIKey | MULBTAGQSFGNAK-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate (CAS 52889-75-5), with molecular formula C18H20O7 and molecular weight 348.12 g/mol. IUPAC: ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate
Property Insights of Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate has 2 hydrogen bond donor(s) and 7 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-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate?
The CAS number of Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate is 52889-75-5.
What is the molecular formula of Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate?
The molecular formula of Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate is C18H20O7.
What is the molecular weight of Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate?
The molecular weight of Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate is 348.12 g/mol.
Where can I buy Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate?
You can request a quote for Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-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-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.