6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate
TL;DR: 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate (CAS 71590-88-0) is a chemical compound with molecular formula C12H10O5 and molecular weight 234.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyloxy-2-methyl-1-benzofuran-6-carboxylic acid
Also Known As: 5-Hydroxy-2-methyl-6-benzofurancarboxylic acid acetate, 6-BENZOFURANCARBOXYLIC ACID, 5-HYDROXY-2-METHYL-, ACETATE, 5-Acetoxy-2-methylbenzofuran-6-carboxylic acid, 5-acetyloxy-2-methyl-1-benzofuran-6-carboxylic acid, 5-Acetyloxy-2-methyl-6-benzofurancarboxylic acid
Technical Specifications
| Molecular Formula | C12H10O5 |
| Molecular Weight | 234.05283 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.05283 Da |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
| SMILES | CC1=CC2=CC(=C(C=C2O1)C(=O)O)OC(=O)C |
| InChIKey | KZZNYSRLPYZICX-UHFFFAOYSA-N |
Chemical Property Profile of 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate
Property Insights of 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate. Following Lipinski's Rule of Five, 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate 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
What is the CAS number of 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate?
The CAS number of 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate is 71590-88-0.
What is the molecular formula of 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate?
The molecular formula of 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate is C12H10O5.
What is the molecular weight of 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate?
The molecular weight of 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate is 234.05283 g/mol.
Where can I buy 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate?
You can request a quote for 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate?
Yes, CoreyChem provides custom synthesis services for 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.