2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid
TL;DR: 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid (CAS 6269-94-9) is a chemical compound with molecular formula C18H14O5 and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-phenacyloxy-1-benzofuran-3-carboxylic acid
Also Known As: 2-methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid, BIM-0003328.P001, 2-methyl-5-phenacyloxy-1-benzofuran-3-carboxylic acid, 2-methyl-5-phenacyloxy-1-benzo[b]furan-3-carboxylic acid, 3-benzofurancarboxylic acid, 2-methyl-5-(2-oxo-2-phenylethoxy)-
| Molecular Formula | C18H14O5 |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.08414 |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 6269-94-9 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)C3=CC=CC=C3)C(=O)O |
| InChIKey | WFGPKABEQFCQKB-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid (CAS 6269-94-9), with molecular formula C18H14O5 and molecular weight 310.08 g/mol. IUPAC: 2-methyl-5-phenacyloxy-1-benzofuran-3-carboxylic acid.
Chemical Property Profile of 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid
Property Insights of 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid
The XLogP value of 3.6 indicates that 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid. Following Lipinski's Rule of Five, 2-Methyl-5-(2-oxo-2-phenylethoxy)-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 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid?
The CAS number of 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid is 6269-94-9.
What is the molecular formula of 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid?
The molecular formula of 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid is C18H14O5.
What is the molecular weight of 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid?
The molecular weight of 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid is 310.08 g/mol.
Where can I buy 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid?
You can request a quote for 2-Methyl-5-(2-oxo-2-phenylethoxy)-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 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.