2-Methyl-1-benzofuran-6-carboxylic acid
TL;DR: 2-Methyl-1-benzofuran-6-carboxylic acid (CAS 133845-02-0) 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.
2-methyl-1-benzofuran-6-carboxylic acid
Also Known As: 2-methyl-1-benzofuran-6-carboxylic acid, 2-methylbenzofuran-6-carboxylic Acid, AP-836/41220385, 882-057-9
Technical Specifications
| Molecular Formula | C10H8O3 |
| Molecular Weight | 176.04735 g/mol |
| XLogP | 2.3 |
| 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=CC2=C(O1)C=C(C=C2)C(=O)O |
| InChIKey | MGICLVVGNPNEKF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-1-benzofuran-6-carboxylic acid
Property Insights of 2-Methyl-1-benzofuran-6-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-benzofuran-6-carboxylic acid. With a topological polar surface area (TPSA) of 50.4 Ų, 2-Methyl-1-benzofuran-6-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-benzofuran-6-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 2-Methyl-1-benzofuran-6-carboxylic acid?
The CAS number of 2-Methyl-1-benzofuran-6-carboxylic acid is 133845-02-0.
What is the molecular formula of 2-Methyl-1-benzofuran-6-carboxylic acid?
The molecular formula of 2-Methyl-1-benzofuran-6-carboxylic acid is C10H8O3.
What is the molecular weight of 2-Methyl-1-benzofuran-6-carboxylic acid?
The molecular weight of 2-Methyl-1-benzofuran-6-carboxylic acid is 176.04735 g/mol.
Where can I buy 2-Methyl-1-benzofuran-6-carboxylic acid?
You can request a quote for 2-Methyl-1-benzofuran-6-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-1-benzofuran-6-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-1-benzofuran-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.