5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid
TL;DR: 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid (CAS 307552-57-4) is a chemical compound with molecular formula C12H10O5 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyloxy-2-methyl-1-benzofuran-3-carboxylic acid
Also Known As: 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid, 5-acetoxy-2-methylbenzofuran-3-carboxylic acid, 5-acetyloxy-2-methyl-1-benzofuran-3-carboxylic acid, BIM-0002510.P001, AI-020/11471002
| Molecular Formula | C12H10O5 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.05283 |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 307552-57-4 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C)C(=O)O |
| InChIKey | LKHUJOGZLYATHG-UHFFFAOYSA-N |
Product Overview
5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid (CAS 307552-57-4), with molecular formula C12H10O5 and molecular weight 234.05 g/mol. IUPAC: 5-acetyloxy-2-methyl-1-benzofuran-3-carboxylic acid.
Chemical Property Profile of 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid
Property Insights of 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(Acetyloxy)-2-methyl-1-benzofuran-3-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 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The CAS number of 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid is 307552-57-4.
What is the molecular formula of 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The molecular formula of 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid is C12H10O5.
What is the molecular weight of 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The molecular weight of 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid is 234.05 g/mol.
Where can I buy 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid?
You can request a quote for 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.