Methyl 2-(4-fluorophenoxy)acetate
TL;DR: Methyl 2-(4-fluorophenoxy)acetate (CAS 554445-58-8) is a chemical compound with molecular formula C9H9FO3 and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-fluorophenoxy)acetate
Also Known As: methyl 2-(4-fluorophenoxy)acetate, 2-(4-fluorophenoxy)propanoate, 4-FLUORO METHYLPHENOXYACETATE, Methyl (4-fluorophenoxy)acetate, 4-FLUOROMETHYLPHENOXYACETATE
| Molecular Formula | C9H9FO3 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.05357 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 554445-58-8 |
|---|---|
| SMILES | COC(=O)COC1=CC=C(C=C1)F |
| InChIKey | DIMNXSMXSUMRET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(4-fluorophenoxy)acetate (CAS 554445-58-8), with molecular formula C9H9FO3 and molecular weight 184.05 g/mol. IUPAC: methyl 2-(4-fluorophenoxy)acetate.
Chemical Property Profile of Methyl 2-(4-fluorophenoxy)acetate
Property Insights of Methyl 2-(4-fluorophenoxy)acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-fluorophenoxy)acetate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 2-(4-fluorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-fluorophenoxy)acetate has 0 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 Methyl 2-(4-fluorophenoxy)acetate?
The CAS number of Methyl 2-(4-fluorophenoxy)acetate is 554445-58-8.
What is the molecular formula of Methyl 2-(4-fluorophenoxy)acetate?
The molecular formula of Methyl 2-(4-fluorophenoxy)acetate is C9H9FO3.
What is the molecular weight of Methyl 2-(4-fluorophenoxy)acetate?
The molecular weight of Methyl 2-(4-fluorophenoxy)acetate is 184.05 g/mol.
Where can I buy Methyl 2-(4-fluorophenoxy)acetate?
You can request a quote for Methyl 2-(4-fluorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-fluorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-fluorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.