2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate
TL;DR: 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate (CAS 5341-24-2) is a chemical compound with molecular formula C21H14FNO6 and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-nitrophenoxy)benzoate
Also Known As: 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate, [2-(4-fluorophenyl)-2-oxo-ethyl] 3-(4-nitrophenoxy)benzoate, [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-nitrophenoxy)benzoate
| Molecular Formula | C21H14FNO6 |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 4.5659 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.0805 |
| Heavy Atoms | 29 |
| Complexity | 1047.5262 |
Chemical Identifiers
| CAS Number | 5341-24-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=C(C=C3)F |
Product Overview
2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate (CAS 5341-24-2), with molecular formula C21H14FNO6 and molecular weight 395.08 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-nitrophenoxy)benzoate.
Chemical Property Profile of 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate
Property Insights of 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate
The XLogP value of 4.5659 indicates that 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate has 0 hydrogen bond donor(s) and 6 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-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate?
The CAS number of 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate is 5341-24-2.
What is the molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate?
The molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate is C21H14FNO6.
What is the molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate?
The molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate is 395.08 g/mol.
Where can I buy 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate?
You can request a quote for 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-2-oxoethyl 3-(4-nitrophenoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.