2-Chloro-4-fluorophenyl acetate
TL;DR: 2-Chloro-4-fluorophenyl acetate (CAS 301653-18-9) is a chemical compound with molecular formula C8H6ClFO2 and molecular weight 188.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-fluorophenyl) acetate
Also Known As: 2-Chloro-4-fluorophenyl acetate, (2-chloro-4-fluorophenyl) acetate, Phenol, 2-chloro-4-fluoro-, acetate, Acetic acid 2-chloro-4-fluorophenyl ester, 1-Acetoxy-2-chloro-4-fluorobenzene
| Molecular Formula | C8H6ClFO2 |
|---|---|
| Molecular Weight | 188.00 g/mol |
| LogP | 2.4044 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.00403 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 301653-18-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)F)Cl |
Product Overview
2-Chloro-4-fluorophenyl acetate (CAS 301653-18-9), with molecular formula C8H6ClFO2 and molecular weight 188.00 g/mol. IUPAC: (2-chloro-4-fluorophenyl) acetate.
Chemical Property Profile of 2-Chloro-4-fluorophenyl acetate
Property Insights of 2-Chloro-4-fluorophenyl acetate
The XLogP value of 2.4044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-fluorophenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloro-4-fluorophenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-fluorophenyl acetate 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 2-Chloro-4-fluorophenyl acetate?
The CAS number of 2-Chloro-4-fluorophenyl acetate is 301653-18-9.
What is the molecular formula of 2-Chloro-4-fluorophenyl acetate?
The molecular formula of 2-Chloro-4-fluorophenyl acetate is C8H6ClFO2.
What is the molecular weight of 2-Chloro-4-fluorophenyl acetate?
The molecular weight of 2-Chloro-4-fluorophenyl acetate is 188.00 g/mol.
Where can I buy 2-Chloro-4-fluorophenyl acetate?
You can request a quote for 2-Chloro-4-fluorophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-fluorophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-fluorophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.