3-Fluoroanisole
TL;DR: 3-Fluoroanisole (CAS 456-49-5) is a chemical compound with molecular formula C7H7FO and molecular weight 126.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-3-methoxybenzene
Also Known As: 3-Fluoroanisole, m-Fluoroanisole, 1-FLUORO-3-METHOXYBENZENE, 3-fluoroanisol, Benzene, 1-fluoro-3-methoxy-
| Molecular Formula | C7H7FO |
|---|---|
| Molecular Weight | 126.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.048096 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 456-49-5 |
|---|---|
| SMILES | COC1=CC(=CC=C1)F |
| InChIKey | MFJNOXOAIFNSBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluoroanisole (CAS 456-49-5), with molecular formula C7H7FO and molecular weight 126.05 g/mol. IUPAC: 1-fluoro-3-methoxybenzene.
Chemical Property Profile of 3-Fluoroanisole
Property Insights of 3-Fluoroanisole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoroanisole. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Fluoroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoroanisole 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 3-Fluoroanisole?
The CAS number of 3-Fluoroanisole is 456-49-5.
What is the molecular formula of 3-Fluoroanisole?
The molecular formula of 3-Fluoroanisole is C7H7FO.
What is the molecular weight of 3-Fluoroanisole?
The molecular weight of 3-Fluoroanisole is 126.05 g/mol.
Where can I buy 3-Fluoroanisole?
You can request a quote for 3-Fluoroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoroanisole?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.