7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid
TL;DR: 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid (CAS 526-34-1) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-1,3-benzodioxole-5-carboxylic acid
Also Known As: Myristicinsaure, Myristicic acid, Myristicin acid, 7-Methoxy-1,3-benzodioxole-5-carboxylic acid, 7-Methoxy-piperonylic acid
| Molecular Formula | C9H8O5 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.03717 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 526-34-1 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OCO2)C(=O)O |
| InChIKey | AOHAPDDBNAPPIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid (CAS 526-34-1), with molecular formula C9H8O5 and molecular weight 196.04 g/mol. IUPAC: 7-methoxy-1,3-benzodioxole-5-carboxylic acid.
Chemical Property Profile of 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid
Property Insights of 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid. Following Lipinski's Rule of Five, 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid has 1 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 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid?
The CAS number of 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid is 526-34-1.
What is the molecular formula of 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid?
The molecular formula of 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid is C9H8O5.
What is the molecular weight of 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid?
The molecular weight of 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid is 196.04 g/mol.
Where can I buy 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid?
You can request a quote for 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.