1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone
TL;DR: 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone (CAS 19671-80-8) 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-(4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-yl)ethanone
Also Known As: 4,7-BENZOFURANDIOL, 6-ACETYL-2,3-DIMETHYL-, 6-Acetyl-2,3-dimethyl-4,7-benzofurandiol, 6-Acetyl-4,7-dihydroxy-2,3-dimethylbenzofuran, Benzofuran, 6-acetyl-4,7-dihydroxy-2,3-dimethyl-, 1-(4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-yl)ethanone
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 19671-80-8 |
|---|---|
| SMILES | CC1=C(OC2=C(C(=CC(=C12)O)C(=O)C)O)C |
| InChIKey | YGIHMDFLKRATGH-UHFFFAOYSA-N |
Product Overview
1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone (CAS 19671-80-8), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 1-(4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-yl)ethanone.
Chemical Property Profile of 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone
Property Insights of 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone. Following Lipinski's Rule of Five, 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone has 2 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-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone?
The CAS number of 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone is 19671-80-8.
What is the molecular formula of 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone?
The molecular formula of 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone is C12H12O4.
What is the molecular weight of 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone?
The molecular weight of 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone is 220.07 g/mol.
Where can I buy 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone?
You can request a quote for 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,7-Dihydroxy-2,3-dimethyl-6-benzofuranyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.