3-Chloro-4-fluorophenetole
TL;DR: 3-Chloro-4-fluorophenetole (CAS 289039-45-8) is a chemical compound with molecular formula C8H8ClFO and molecular weight 174.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-ethoxy-1-fluorobenzene
Also Known As: 3-Chloro-4-fluorophenetole, 2-chloro-4-ethoxy-1-fluorobenzene, Ecenofloxacin, Benzene, 2-chloro-4-ethoxy-1-fluoro-, Benzene,2-chloro-4-ethoxy-1-fluoro-
| Molecular Formula | C8H8ClFO |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | 2.8778 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.02477 |
| Heavy Atoms | 11 |
| Complexity | 249.84741 |
Chemical Identifiers
| CAS Number | 289039-45-8 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)F)Cl |
Product Overview
3-Chloro-4-fluorophenetole (CAS 289039-45-8), with molecular formula C8H8ClFO and molecular weight 174.02 g/mol. IUPAC: 2-chloro-4-ethoxy-1-fluorobenzene.
Chemical Property Profile of 3-Chloro-4-fluorophenetole
Property Insights of 3-Chloro-4-fluorophenetole
The XLogP value of 2.8778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-fluorophenetole. With a topological polar surface area (TPSA) of 9.23 Ų, 3-Chloro-4-fluorophenetole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluorophenetole has 0 hydrogen bond donor(s) and 1 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-Chloro-4-fluorophenetole?
The CAS number of 3-Chloro-4-fluorophenetole is 289039-45-8.
What is the molecular formula of 3-Chloro-4-fluorophenetole?
The molecular formula of 3-Chloro-4-fluorophenetole is C8H8ClFO.
What is the molecular weight of 3-Chloro-4-fluorophenetole?
The molecular weight of 3-Chloro-4-fluorophenetole is 174.02 g/mol.
Where can I buy 3-Chloro-4-fluorophenetole?
You can request a quote for 3-Chloro-4-fluorophenetole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-fluorophenetole?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorophenetole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.