1-Ethoxy-3-fluorobenzene
TL;DR: 1-Ethoxy-3-fluorobenzene (CAS 458-03-7) is a chemical compound with molecular formula CCOC1=CC(=CC=C1)F and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-3-fluorobenzene
Also Known As: 1-Ethoxy-3-fluorobenzene, 3-Fluorophenetole, Benzene, 1-ethoxy-3-fluoro-, m-ethoxyfluorobenzene, m-Fluorphenetol
| Molecular Formula | CCOC1=CC(=CC=C1)F |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.06374 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 458-03-7 |
|---|---|
| SMILES | CCOC1=CC(=CC=C1)F |
| InChIKey | UWWCZZMOTBWUAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethoxy-3-fluorobenzene (CAS 458-03-7), with molecular formula CCOC1=CC(=CC=C1)F and molecular weight 140.06 g/mol. IUPAC: 1-ethoxy-3-fluorobenzene.
Chemical Property Profile of 1-Ethoxy-3-fluorobenzene
Property Insights of 1-Ethoxy-3-fluorobenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxy-3-fluorobenzene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Ethoxy-3-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxy-3-fluorobenzene 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 1-Ethoxy-3-fluorobenzene?
The CAS number of 1-Ethoxy-3-fluorobenzene is 458-03-7.
What is the molecular formula of 1-Ethoxy-3-fluorobenzene?
The molecular formula of 1-Ethoxy-3-fluorobenzene is CCOC1=CC(=CC=C1)F.
What is the molecular weight of 1-Ethoxy-3-fluorobenzene?
The molecular weight of 1-Ethoxy-3-fluorobenzene is 140.06 g/mol.
Where can I buy 1-Ethoxy-3-fluorobenzene?
You can request a quote for 1-Ethoxy-3-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxy-3-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxy-3-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.