3-Fluorophenyl acetate
TL;DR: 3-Fluorophenyl acetate (CAS 701-83-7) is a chemical compound with molecular formula C8H7FO2 and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluorophenyl) acetate
Also Known As: 3-Fluorophenyl acetate, 1-Acetoxy-3-fluorobenzene, (3-fluorophenyl) acetate, 3-fluorophenylacetate, Acetic Acid 3-Fluorophenyl Ester
| Molecular Formula | C8H7FO2 |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.04301 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 701-83-7 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC=C1)F |
| InChIKey | IAWZWMGUTKRLQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluorophenyl acetate (CAS 701-83-7), with molecular formula C8H7FO2 and molecular weight 154.04 g/mol. IUPAC: (3-fluorophenyl) acetate.
Chemical Property Profile of 3-Fluorophenyl acetate
Property Insights of 3-Fluorophenyl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorophenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Fluorophenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorophenyl acetate has 0 hydrogen bond donor(s) and 3 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 3-Fluorophenyl acetate?
The CAS number of 3-Fluorophenyl acetate is 701-83-7.
What is the molecular formula of 3-Fluorophenyl acetate?
The molecular formula of 3-Fluorophenyl acetate is C8H7FO2.
What is the molecular weight of 3-Fluorophenyl acetate?
The molecular weight of 3-Fluorophenyl acetate is 154.04 g/mol.
Where can I buy 3-Fluorophenyl acetate?
You can request a quote for 3-Fluorophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.