3,7-Dimethoxybenzofuran-2-carboxylic acid
TL;DR: 3,7-Dimethoxybenzofuran-2-carboxylic acid (CAS 104796-55-6) is a chemical compound with molecular formula C11H10O5 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethoxy-1-benzofuran-2-carboxylic acid
Also Known As: 3,7-dimethoxy-2-benzofurancarboxylic acid, 2-Benzofurancarboxylic acid,7-dimethoxy-, 3,7-dimethoxy-1-benzofuran-2-carboxylic acid, NCI60_009134, 3,7-dimethoxybenzofuran-2-carboxylic acid
| Molecular Formula | C11H10O5 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.05283 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 104796-55-6 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=C2OC)C(=O)O |
| InChIKey | LPFARVHTKDMDGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethoxybenzofuran-2-carboxylic acid (CAS 104796-55-6), with molecular formula C11H10O5 and molecular weight 222.05 g/mol. IUPAC: 3,7-dimethoxy-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3,7-Dimethoxybenzofuran-2-carboxylic acid
Property Insights of 3,7-Dimethoxybenzofuran-2-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethoxybenzofuran-2-carboxylic acid. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dimethoxybenzofuran-2-carboxylic acid. Following Lipinski's Rule of Five, 3,7-Dimethoxybenzofuran-2-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 3,7-Dimethoxybenzofuran-2-carboxylic acid?
The CAS number of 3,7-Dimethoxybenzofuran-2-carboxylic acid is 104796-55-6.
What is the molecular formula of 3,7-Dimethoxybenzofuran-2-carboxylic acid?
The molecular formula of 3,7-Dimethoxybenzofuran-2-carboxylic acid is C11H10O5.
What is the molecular weight of 3,7-Dimethoxybenzofuran-2-carboxylic acid?
The molecular weight of 3,7-Dimethoxybenzofuran-2-carboxylic acid is 222.05 g/mol.
Where can I buy 3,7-Dimethoxybenzofuran-2-carboxylic acid?
You can request a quote for 3,7-Dimethoxybenzofuran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethoxybenzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethoxybenzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.