Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)-
TL;DR: Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)- (CAS 97094-17-2) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6-dimethoxy-1-benzofuran-2-yl)ethanone
Also Known As: Calebertin, Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)-, 2-Acetyl-4,6-dimethoxybenzofuran, 1-(4,6-dimethoxy-1-benzofuran-2-yl)ethanone, 1-(4,6-Dimethoxybenzofuran-2-yl)ethanone
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 97094-17-2 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(O1)C=C(C=C2OC)OC |
| InChIKey | LJVDARVSEIAXKH-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)- (CAS 97094-17-2), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 1-(4,6-dimethoxy-1-benzofuran-2-yl)ethanone.
Chemical Property Profile of Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)-
Property Insights of Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)-. With a topological polar surface area (TPSA) of 48.7 Ų, Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)- 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 Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)-?
The CAS number of Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)- is 97094-17-2.
What is the molecular formula of Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)-?
The molecular formula of Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)- is C12H12O4.
What is the molecular weight of Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)-?
The molecular weight of Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)- is 220.07 g/mol.
Where can I buy Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)-?
You can request a quote for Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4,6-dimethoxy-2-benzofuranyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.