1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-
TL;DR: 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl- (CAS 80213-55-4) is a chemical compound with molecular formula C10H8O5 and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dihydroxy-5,6-dimethyl-2-benzofuran-1,3-dione
Also Known As: 4,7-Dihydroxy-5,6-dimethylisobenzofuran-1,3-dione, 4,7-Dihydroxy-5,6-dimethyl-2-benzofuran-1,3-dione, 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-, 4,7-Dihydroxy-5,6-dimethyl-2-benzofuran-1,3-dione #
| Molecular Formula | C10H8O5 |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.03717 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 80213-55-4 |
|---|---|
| SMILES | CC1=C(C(=C2C(=C1O)C(=O)OC2=O)O)C |
| InChIKey | YWNQDYRMNGKSDO-UHFFFAOYSA-N |
Product Overview
1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl- (CAS 80213-55-4), with molecular formula C10H8O5 and molecular weight 208.04 g/mol. IUPAC: 4,7-dihydroxy-5,6-dimethyl-2-benzofuran-1,3-dione.
Chemical Property Profile of 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-
Property Insights of 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl- 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 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-?
The CAS number of 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl- is 80213-55-4.
What is the molecular formula of 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-?
The molecular formula of 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl- is C10H8O5.
What is the molecular weight of 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-?
The molecular weight of 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl- is 208.04 g/mol.
Where can I buy 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-?
You can request a quote for 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Isobenzofurandione, 4,7-dihydroxy-5,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.