4,6-dihydroxybenzofuran-3(2H)-one
TL;DR: 4,6-dihydroxybenzofuran-3(2H)-one (CAS 3260-49-9) is a chemical compound with molecular formula C8H6O4 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dihydroxy-1-benzofuran-3-one
Also Known As: 4,6-dihydroxybenzofuran-3(2H)-one, 4,6-dihydroxybenzofuran-3-one, 4,6-dihydroxy-1-benzofuran-3-one, 4,6-dihydroxy-3-benzofuranone, 4,6-Dihydroxy-3(2H)-benzofuranone
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.02661 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 3260-49-9 |
|---|---|
| SMILES | C1C(=O)C2=C(C=C(C=C2O1)O)O |
| InChIKey | OPSLRXQDYBYKHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-dihydroxybenzofuran-3(2H)-one (CAS 3260-49-9), with molecular formula C8H6O4 and molecular weight 166.03 g/mol. IUPAC: 4,6-dihydroxy-1-benzofuran-3-one.
Chemical Property Profile of 4,6-dihydroxybenzofuran-3(2H)-one
Property Insights of 4,6-dihydroxybenzofuran-3(2H)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-dihydroxybenzofuran-3(2H)-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-dihydroxybenzofuran-3(2H)-one. Following Lipinski's Rule of Five, 4,6-dihydroxybenzofuran-3(2H)-one 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 4,6-dihydroxybenzofuran-3(2H)-one?
The CAS number of 4,6-dihydroxybenzofuran-3(2H)-one is 3260-49-9.
What is the molecular formula of 4,6-dihydroxybenzofuran-3(2H)-one?
The molecular formula of 4,6-dihydroxybenzofuran-3(2H)-one is C8H6O4.
What is the molecular weight of 4,6-dihydroxybenzofuran-3(2H)-one?
The molecular weight of 4,6-dihydroxybenzofuran-3(2H)-one is 166.03 g/mol.
Where can I buy 4,6-dihydroxybenzofuran-3(2H)-one?
You can request a quote for 4,6-dihydroxybenzofuran-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dihydroxybenzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dihydroxybenzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.