4,7-Dihydroxyisobenzofuran-1,3-dione
TL;DR: 4,7-Dihydroxyisobenzofuran-1,3-dione (CAS 69039-62-9) is a chemical compound with molecular formula C8H4O5 and molecular weight 180.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dihydroxy-2-benzofuran-1,3-dione
Also Known As: 3,6-dihydroxyphthalic anhydride, 4,7-dihydroxyisobenzofuran-1,3-dione, 4,7-dihydroxy-2-benzofuran-1,3-dione, hydroquinone-2,3-dicarboxylic anhydride, 4,7-dihydroxy-1,3-dihydro-2-benzofuran-1,3-dione
| Molecular Formula | C8H4O5 |
|---|---|
| Molecular Weight | 180.01 g/mol |
| LogP | 0.4084 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.00587 |
| Heavy Atoms | 13 |
| Complexity | 381.78772 |
Chemical Identifiers
| CAS Number | 69039-62-9 |
|---|---|
| SMILES | C1=CC(=C2C(=C1O)C(=O)OC2=O)O |
Product Overview
4,7-Dihydroxyisobenzofuran-1,3-dione (CAS 69039-62-9), with molecular formula C8H4O5 and molecular weight 180.01 g/mol. IUPAC: 4,7-dihydroxy-2-benzofuran-1,3-dione.
Chemical Property Profile of 4,7-Dihydroxyisobenzofuran-1,3-dione
Property Insights of 4,7-Dihydroxyisobenzofuran-1,3-dione
The XLogP value of 0.4084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Dihydroxyisobenzofuran-1,3-dione. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Dihydroxyisobenzofuran-1,3-dione. Following Lipinski's Rule of Five, 4,7-Dihydroxyisobenzofuran-1,3-dione has 2 hydrogen bond donor(s) and 5 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 4,7-Dihydroxyisobenzofuran-1,3-dione?
The CAS number of 4,7-Dihydroxyisobenzofuran-1,3-dione is 69039-62-9.
What is the molecular formula of 4,7-Dihydroxyisobenzofuran-1,3-dione?
The molecular formula of 4,7-Dihydroxyisobenzofuran-1,3-dione is C8H4O5.
What is the molecular weight of 4,7-Dihydroxyisobenzofuran-1,3-dione?
The molecular weight of 4,7-Dihydroxyisobenzofuran-1,3-dione is 180.01 g/mol.
Where can I buy 4,7-Dihydroxyisobenzofuran-1,3-dione?
You can request a quote for 4,7-Dihydroxyisobenzofuran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Dihydroxyisobenzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Dihydroxyisobenzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.