1-Chloro-2-ethyl-3-fluorobenzene
TL;DR: 1-Chloro-2-ethyl-3-fluorobenzene (CAS 896068-57-8) is a chemical compound with molecular formula C8H8ClF and molecular weight 158.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-ethyl-3-fluorobenzene
Also Known As: 1-chloro-2-ethyl-3-fluorobenzene, 3-Chloro-2-ethylfluorobenzene, 1-chloro-2-ethyl-3-fluoro-benzene, Benzene, 1-chloro-2-ethyl-3-fluoro-
| Molecular Formula | C8H8ClF |
|---|---|
| Molecular Weight | 158.03 g/mol |
| LogP | 3.0415 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.02986 |
| Heavy Atoms | 10 |
| Complexity | 212.44925 |
Chemical Identifiers
| CAS Number | 896068-57-8 |
|---|---|
| SMILES | CCC1=C(C=CC=C1Cl)F |
Product Overview
1-Chloro-2-ethyl-3-fluorobenzene (CAS 896068-57-8), with molecular formula C8H8ClF and molecular weight 158.03 g/mol. IUPAC: 1-chloro-2-ethyl-3-fluorobenzene.
Chemical Property Profile of 1-Chloro-2-ethyl-3-fluorobenzene
Property Insights of 1-Chloro-2-ethyl-3-fluorobenzene
The XLogP value of 3.0415 indicates that 1-Chloro-2-ethyl-3-fluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-2-ethyl-3-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-ethyl-3-fluorobenzene has 0 hydrogen bond donor(s) and 0 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-Chloro-2-ethyl-3-fluorobenzene?
The CAS number of 1-Chloro-2-ethyl-3-fluorobenzene is 896068-57-8.
What is the molecular formula of 1-Chloro-2-ethyl-3-fluorobenzene?
The molecular formula of 1-Chloro-2-ethyl-3-fluorobenzene is C8H8ClF.
What is the molecular weight of 1-Chloro-2-ethyl-3-fluorobenzene?
The molecular weight of 1-Chloro-2-ethyl-3-fluorobenzene is 158.03 g/mol.
Where can I buy 1-Chloro-2-ethyl-3-fluorobenzene?
You can request a quote for 1-Chloro-2-ethyl-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-Chloro-2-ethyl-3-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-ethyl-3-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.