5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid
TL;DR: 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid (CAS 314745-57-8) is a chemical compound with molecular formula C13H12O6 and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid
Also Known As: 5-(1-carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid, BIM-0003303.P001, 5-(1-carboxyethoxy)-2-methylbenzofuran-3-carboxylic acid, 5-(1-carboxyethoxy)-2-methyl-benzofuran-3-carboxylic, F0821-0047
| Molecular Formula | C13H12O6 |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 2.29132 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.0634 |
| Heavy Atoms | 19 |
| Complexity | 654.4423 |
Chemical Identifiers
| CAS Number | 314745-57-8 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OC(C)C(=O)O)C(=O)O |
Product Overview
5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid (CAS 314745-57-8), with molecular formula C13H12O6 and molecular weight 264.06 g/mol. IUPAC: 5-(1-carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid.
Chemical Property Profile of 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid
Property Insights of 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid
The XLogP value of 2.29132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 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-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The CAS number of 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid is 314745-57-8.
What is the molecular formula of 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The molecular formula of 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid is C13H12O6.
What is the molecular weight of 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The molecular weight of 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid is 264.06 g/mol.
Where can I buy 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid?
You can request a quote for 5-(1-Carboxyethoxy)-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-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Carboxyethoxy)-2-methyl-1-benzofuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.