![4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate structure](/static/products/3314/331461-75-7.webp)
4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate
TL;DR: 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate (CAS 331461-75-7) is a chemical compound with molecular formula C21H16FNO5 and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-fluorophenyl)methoxy]phenyl]methyl 3-nitrobenzoate
Also Known As: 4-[(4-fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate, {4-[(4-fluorophenyl)methoxy]phenyl}methyl 3-nitrobenzoate, [4-[(4-fluorophenyl)methoxy]phenyl]methyl 3-nitrobenzoate, 4-(4-Fluorobenzyl)oxybenzyl 3-nitrobenzenecarboxylate, {4-[(4-fluorophenyl)methoxy]phenyl}methyl3-nitrobenzoate
| Molecular Formula | C21H16FNO5 |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 4.6699 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.10126 |
| Heavy Atoms | 28 |
| Complexity | 970.84595 |
Chemical Identifiers
| CAS Number | 331461-75-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)OCC3=CC=C(C=C3)F |
Product Overview
4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate (CAS 331461-75-7), with molecular formula C21H16FNO5 and molecular weight 381.10 g/mol. IUPAC: [4-[(4-fluorophenyl)methoxy]phenyl]methyl 3-nitrobenzoate.
Chemical Property Profile of 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate
Property Insights of 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate
The XLogP value of 4.6699 indicates that 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate has 0 hydrogen bond donor(s) and 5 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 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate?
The CAS number of 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate is 331461-75-7.
What is the molecular formula of 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate?
The molecular formula of 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate is C21H16FNO5.
What is the molecular weight of 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate?
The molecular weight of 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate is 381.10 g/mol.
Where can I buy 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate?
You can request a quote for 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Fluorobenzyl)oxy]benzyl 3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.