2-(4-Chloro-3-fluorophenoxy)benzyl acetate
TL;DR: 2-(4-Chloro-3-fluorophenoxy)benzyl acetate (CAS 478032-51-8) is a chemical compound with molecular formula C15H12ClFO3 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chloro-3-fluorophenoxy)phenyl]methyl acetate
Also Known As: 2-(4-chloro-3-fluorophenoxy)benzyl acetate, [2-(4-chloro-3-fluorophenoxy)phenyl]methyl acetate, 3P-044, [2-(4-chloro-3-fluoro-phenoxy)phenyl]methyl Acetate, [2-(4-chloro-3-fluorophenoxy)phenyl]methylacetate
| Molecular Formula | C15H12ClFO3 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 4.3345 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.0459 |
| Heavy Atoms | 20 |
| Complexity | 628.26575 |
Chemical Identifiers
| CAS Number | 478032-51-8 |
|---|---|
| SMILES | CC(=O)OCC1=CC=CC=C1OC2=CC(=C(C=C2)Cl)F |
Product Overview
2-(4-Chloro-3-fluorophenoxy)benzyl acetate (CAS 478032-51-8), with molecular formula C15H12ClFO3 and molecular weight 294.05 g/mol. IUPAC: [2-(4-chloro-3-fluorophenoxy)phenyl]methyl acetate.
Chemical Property Profile of 2-(4-Chloro-3-fluorophenoxy)benzyl acetate
Property Insights of 2-(4-Chloro-3-fluorophenoxy)benzyl acetate
The XLogP value of 4.3345 indicates that 2-(4-Chloro-3-fluorophenoxy)benzyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 2-(4-Chloro-3-fluorophenoxy)benzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-3-fluorophenoxy)benzyl acetate has 0 hydrogen bond donor(s) and 3 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-(4-Chloro-3-fluorophenoxy)benzyl acetate?
The CAS number of 2-(4-Chloro-3-fluorophenoxy)benzyl acetate is 478032-51-8.
What is the molecular formula of 2-(4-Chloro-3-fluorophenoxy)benzyl acetate?
The molecular formula of 2-(4-Chloro-3-fluorophenoxy)benzyl acetate is C15H12ClFO3.
What is the molecular weight of 2-(4-Chloro-3-fluorophenoxy)benzyl acetate?
The molecular weight of 2-(4-Chloro-3-fluorophenoxy)benzyl acetate is 294.05 g/mol.
Where can I buy 2-(4-Chloro-3-fluorophenoxy)benzyl acetate?
You can request a quote for 2-(4-Chloro-3-fluorophenoxy)benzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-3-fluorophenoxy)benzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-3-fluorophenoxy)benzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.