5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid
TL;DR: 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid (CAS 116751-24-7) is a chemical compound with molecular formula C12H9FO4 and molecular weight 236.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenoxy)methyl]furan-2-carboxylic acid
Also Known As: 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid, 5-[(4-fluorophenoxy)methyl]furan-2-carboxylic acid, BTBMW, 5-[(4-Fluorophenoxy)methyl]-2-furoic acid, 5-(4-Fluoro-phenoxymethyl)-furan-2-carboxylic acid
| Molecular Formula | C12H9FO4 |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.0485 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 116751-24-7 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC2=CC=C(O2)C(=O)O)F |
| InChIKey | KYVUAHUKHLAOMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid (CAS 116751-24-7), with molecular formula C12H9FO4 and molecular weight 236.05 g/mol. IUPAC: 5-[(4-fluorophenoxy)methyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid
Property Insights of 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid. With a topological polar surface area (TPSA) of 59.7 Ų, 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((4-Fluorophenoxy)methyl)furan-2-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-Fluorophenoxy)methyl)furan-2-carboxylic acid?
The CAS number of 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid is 116751-24-7.
What is the molecular formula of 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid?
The molecular formula of 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid is C12H9FO4.
What is the molecular weight of 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid?
The molecular weight of 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid is 236.05 g/mol.
Where can I buy 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid?
You can request a quote for 5-((4-Fluorophenoxy)methyl)furan-2-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-Fluorophenoxy)methyl)furan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Fluorophenoxy)methyl)furan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.