3-Acetyl-2-methyl-1-benzofuran-5-yl acetate
TL;DR: 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate (CAS 28221-76-3) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-2-methyl-1-benzofuran-5-yl) acetate
Also Known As: 3-acetyl-2-methyl-1-benzofuran-5-yl acetate, (3-acetyl-2-methyl-1-benzofuran-5-yl) acetate, 2-methyl-3-acetyl-5-acetoxybenzofuran, 3-acetyl-2-methylbenzofuran-5-yl acetate, BIM-0024516.P001
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 28221-76-3 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C)C(=O)C |
| InChIKey | WQEWETIFDKPSPO-UHFFFAOYSA-N |
Product Overview
3-Acetyl-2-methyl-1-benzofuran-5-yl acetate (CAS 28221-76-3), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: (3-acetyl-2-methyl-1-benzofuran-5-yl) acetate.
Chemical Property Profile of 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate
Property Insights of 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate. With a topological polar surface area (TPSA) of 56.5 Ų, 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate 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 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate?
The CAS number of 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate is 28221-76-3.
What is the molecular formula of 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate?
The molecular formula of 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate is C13H12O4.
What is the molecular weight of 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate?
The molecular weight of 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate is 232.07 g/mol.
Where can I buy 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate?
You can request a quote for 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-2-methyl-1-benzofuran-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.