1,3-Benzodioxole-5,6-dicarboxylic acid
TL;DR: 1,3-Benzodioxole-5,6-dicarboxylic acid (CAS 490-26-6) is a chemical compound with molecular formula C9H6O6 and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxole-5,6-dicarboxylic acid
Also Known As: Hydrastic acid, 1,3-Benzodioxole-5,6-dicarboxylic acid, 4-methylenedioxyphthalic acid, 2H-1,3-benzodioxole-5,6-dicarboxylic acid, 1,3-benzodioxole-5,6-dicarbonsäure
| Molecular Formula | C9H6O6 |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.01643 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 490-26-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C(=O)O)C(=O)O |
| InChIKey | UMEVZMYDJGBHMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-5,6-dicarboxylic acid (CAS 490-26-6), with molecular formula C9H6O6 and molecular weight 210.02 g/mol. IUPAC: 1,3-benzodioxole-5,6-dicarboxylic acid.
Chemical Property Profile of 1,3-Benzodioxole-5,6-dicarboxylic acid
Property Insights of 1,3-Benzodioxole-5,6-dicarboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5,6-dicarboxylic acid. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5,6-dicarboxylic acid. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5,6-dicarboxylic acid has 2 hydrogen bond donor(s) and 6 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-Benzodioxole-5,6-dicarboxylic acid?
The CAS number of 1,3-Benzodioxole-5,6-dicarboxylic acid is 490-26-6.
What is the molecular formula of 1,3-Benzodioxole-5,6-dicarboxylic acid?
The molecular formula of 1,3-Benzodioxole-5,6-dicarboxylic acid is C9H6O6.
What is the molecular weight of 1,3-Benzodioxole-5,6-dicarboxylic acid?
The molecular weight of 1,3-Benzodioxole-5,6-dicarboxylic acid is 210.02 g/mol.
Where can I buy 1,3-Benzodioxole-5,6-dicarboxylic acid?
You can request a quote for 1,3-Benzodioxole-5,6-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5,6-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5,6-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.