1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone
TL;DR: 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone (CAS 136796-01-5) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxy-3-methoxy-2,3-dimethyl-1-benzofuran-6-yl)ethanone
Also Known As: 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone, 1-(2-hydroxy-3-methoxy-2,3-dimethyl-benzofuran-6-yl)ethanone, 1-(2-hydroxy-3-methoxy-2,3-dimethyl-1-benzofuran-6-yl)ethanone, 1-(2-Hydroxy-3-methoxy-2,3-dimethyl-2,3-dihydro-1-benzofuran-6-yl)ethan-1-one
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 136796-01-5 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)C(C(O2)(C)O)(C)OC |
| InChIKey | VJYGFKYHOHNXNS-UHFFFAOYSA-N |
Product Overview
1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone (CAS 136796-01-5), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 1-(2-hydroxy-3-methoxy-2,3-dimethyl-1-benzofuran-6-yl)ethanone.
Chemical Property Profile of 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone
Property Insights of 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone. With a topological polar surface area (TPSA) of 55.8 Ų, 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone has 1 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 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone?
The CAS number of 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone is 136796-01-5.
What is the molecular formula of 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone?
The molecular formula of 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone is C13H16O4.
What is the molecular weight of 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone?
The molecular weight of 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone is 236.10 g/mol.
Where can I buy 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone?
You can request a quote for 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Hydroxy-3-methoxy-2,3-dimethylbenzofuran-6-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.