5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid
TL;DR: 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid (CAS 300674-16-2) is a chemical compound with molecular formula C17H13FO4 and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
Also Known As: 5-((4-fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid, 5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid, F0821-0076, 5-[(4-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylic acid, 5-[(4-fluorophenyl)methoxy]-2-methylbenzo[b]furan-3-carboxylic acid
| Molecular Formula | C17H13FO4 |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07977 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 300674-16-2 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)F)C(=O)O |
| InChIKey | NSXWRVUOIRMWCK-UHFFFAOYSA-N |
Product Overview
5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid (CAS 300674-16-2), with molecular formula C17H13FO4 and molecular weight 300.08 g/mol. IUPAC: 5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid.
Chemical Property Profile of 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid
Property Insights of 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid
The XLogP value of 3.8 indicates that 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic 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, 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-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-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid?
The CAS number of 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid is 300674-16-2.
What is the molecular formula of 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid?
The molecular formula of 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid is C17H13FO4.
What is the molecular weight of 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid?
The molecular weight of 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid is 300.08 g/mol.
Where can I buy 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid?
You can request a quote for 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-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-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.