3-Methyl-1-benzofuran-2-carboxylic acid
TL;DR: 3-Methyl-1-benzofuran-2-carboxylic acid (CAS 156682-54-1) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-1-benzofuran-2-carboxylic acid
Also Known As: 3-Methylbenzofuran-2-carboxylic acid, 3-Methyl-1-benzofuran-2-carboxylic acid, 2-Benzofurancarboxylic acid, 3-methyl-, 3-methyl-2-benzofurancarboxylic acid, 3-Methyl-benzofuran-2-carboxylic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8O3 |
| Molecular Weight | 176.04735 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04735 Da |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)O |
| InChIKey | YMZTUCZCQMQFMK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-1-benzofuran-2-carboxylic acid
Property Insights of 3-Methyl-1-benzofuran-2-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-benzofuran-2-carboxylic acid. With a topological polar surface area (TPSA) of 50.4 Ų, 3-Methyl-1-benzofuran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-benzofuran-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methyl-1-benzofuran-2-carboxylic acid?
The CAS number of 3-Methyl-1-benzofuran-2-carboxylic acid is 156682-54-1.
What is the molecular formula of 3-Methyl-1-benzofuran-2-carboxylic acid?
The molecular formula of 3-Methyl-1-benzofuran-2-carboxylic acid is C10H8O3.
What is the molecular weight of 3-Methyl-1-benzofuran-2-carboxylic acid?
The molecular weight of 3-Methyl-1-benzofuran-2-carboxylic acid is 176.04735 g/mol.
Where can I buy 3-Methyl-1-benzofuran-2-carboxylic acid?
You can request a quote for 3-Methyl-1-benzofuran-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-1-benzofuran-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.