Methyl 3-fluorophenylacetate
TL;DR: Methyl 3-fluorophenylacetate (CAS 64123-77-9) is a chemical compound with molecular formula C9H9FO2 and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-fluorophenyl)acetate
Also Known As: methyl 2-(3-fluorophenyl)acetate, Methyl 3-Fluorophenylacetate, Methyl3-Fluorophenylacetate, methyl (3-fluorophenyl)acetate, methyl2-(3-fluorophenyl)acetate
| Molecular Formula | C9H9FO2 |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 1.5412 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.05865 |
| Heavy Atoms | 12 |
| Complexity | 283.61197 |
Chemical Identifiers
| CAS Number | 64123-77-9 |
|---|---|
| SMILES | COC(=O)CC1=CC(=CC=C1)F |
Product Overview
Methyl 3-fluorophenylacetate (CAS 64123-77-9), with molecular formula C9H9FO2 and molecular weight 168.06 g/mol. IUPAC: methyl 2-(3-fluorophenyl)acetate.
Chemical Property Profile of Methyl 3-fluorophenylacetate
Property Insights of Methyl 3-fluorophenylacetate
The XLogP value of 1.5412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-fluorophenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-fluorophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-fluorophenylacetate has 0 hydrogen bond donor(s) and 2 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 3-fluorophenylacetate?
The CAS number of Methyl 3-fluorophenylacetate is 64123-77-9.
What is the molecular formula of Methyl 3-fluorophenylacetate?
The molecular formula of Methyl 3-fluorophenylacetate is C9H9FO2.
What is the molecular weight of Methyl 3-fluorophenylacetate?
The molecular weight of Methyl 3-fluorophenylacetate is 168.06 g/mol.
Where can I buy Methyl 3-fluorophenylacetate?
You can request a quote for Methyl 3-fluorophenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-fluorophenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-fluorophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.