3-(Phenoxymethyl)-2-benzofurancarboxylic acid
TL;DR: 3-(Phenoxymethyl)-2-benzofurancarboxylic acid (CAS 28664-92-8) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenoxymethyl)-1-benzofuran-2-carboxylic acid
Also Known As: 3-(phenoxymethyl)-1-benzofuran-2-carboxylic acid, 3-(Phenoxymethyl)-2-benzofurancarboxylic acid, 3-Phenoxymethyl-benzofuran-2-carboxylic acid, 2-Benzofurancarboxylic acid, 3-(phenoxymethyl)-, 3-(Phenoxymethyl)benzofuran-2-carboxylic acid
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 28664-92-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)O |
| InChIKey | VJKTUIWQQYVRRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Phenoxymethyl)-2-benzofurancarboxylic acid (CAS 28664-92-8), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 3-(phenoxymethyl)-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3-(Phenoxymethyl)-2-benzofurancarboxylic acid
Property Insights of 3-(Phenoxymethyl)-2-benzofurancarboxylic acid
The XLogP value of 3.6 indicates that 3-(Phenoxymethyl)-2-benzofurancarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 3-(Phenoxymethyl)-2-benzofurancarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Phenoxymethyl)-2-benzofurancarboxylic acid has 1 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 3-(Phenoxymethyl)-2-benzofurancarboxylic acid?
The CAS number of 3-(Phenoxymethyl)-2-benzofurancarboxylic acid is 28664-92-8.
What is the molecular formula of 3-(Phenoxymethyl)-2-benzofurancarboxylic acid?
The molecular formula of 3-(Phenoxymethyl)-2-benzofurancarboxylic acid is C16H12O4.
What is the molecular weight of 3-(Phenoxymethyl)-2-benzofurancarboxylic acid?
The molecular weight of 3-(Phenoxymethyl)-2-benzofurancarboxylic acid is 268.07 g/mol.
Where can I buy 3-(Phenoxymethyl)-2-benzofurancarboxylic acid?
You can request a quote for 3-(Phenoxymethyl)-2-benzofurancarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenoxymethyl)-2-benzofurancarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenoxymethyl)-2-benzofurancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.