4-Fluorophenoxyacetic acid
TL;DR: 4-Fluorophenoxyacetic acid (CAS 405-79-8) is a chemical compound with molecular formula C8H7FO3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenoxy)acetic acid
Also Known As: 4-FLUOROPHENOXYACETIC ACID, 2-(4-fluorophenoxy)acetic acid, p-Fluorophenoxyacetic acid, (4-fluorophenoxy)acetic acid, Acetic acid, (4-fluorophenoxy)-
| Molecular Formula | C8H7FO3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.03792 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 405-79-8 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)O)F |
| InChIKey | ZBIULCVFFJJYTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorophenoxyacetic acid (CAS 405-79-8), with molecular formula C8H7FO3 and molecular weight 170.04 g/mol. IUPAC: 2-(4-fluorophenoxy)acetic acid.
Chemical Property Profile of 4-Fluorophenoxyacetic acid
Property Insights of 4-Fluorophenoxyacetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorophenoxyacetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Fluorophenoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenoxyacetic 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 4-Fluorophenoxyacetic acid?
The CAS number of 4-Fluorophenoxyacetic acid is 405-79-8.
What is the molecular formula of 4-Fluorophenoxyacetic acid?
The molecular formula of 4-Fluorophenoxyacetic acid is C8H7FO3.
What is the molecular weight of 4-Fluorophenoxyacetic acid?
The molecular weight of 4-Fluorophenoxyacetic acid is 170.04 g/mol.
Where can I buy 4-Fluorophenoxyacetic acid?
You can request a quote for 4-Fluorophenoxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenoxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.