4-Nitrobenzyl 2-fluorobenzoate
TL;DR: 4-Nitrobenzyl 2-fluorobenzoate (CAS 4457-42-5) is a chemical compound with molecular formula C14H10FNO4 and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2-fluorobenzoate
Also Known As: 4-nitrobenzyl 2-fluorobenzoate, (4-nitrophenyl)methyl 2-fluorobenzoate, Benzoic acid, 2-fluoro-, (4-nitrophenyl)methyl ester
| Molecular Formula | C14H10FNO4 |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 3.0909 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0594 |
| Heavy Atoms | 20 |
| Complexity | 639.8771 |
Chemical Identifiers
| CAS Number | 4457-42-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])F |
Product Overview
4-Nitrobenzyl 2-fluorobenzoate (CAS 4457-42-5), with molecular formula C14H10FNO4 and molecular weight 275.06 g/mol. IUPAC: (4-nitrophenyl)methyl 2-fluorobenzoate.
Chemical Property Profile of 4-Nitrobenzyl 2-fluorobenzoate
Property Insights of 4-Nitrobenzyl 2-fluorobenzoate
The XLogP value of 3.0909 indicates that 4-Nitrobenzyl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl 2-fluorobenzoate. Following Lipinski's Rule of Five, 4-Nitrobenzyl 2-fluorobenzoate has 0 hydrogen bond donor(s) and 4 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-Nitrobenzyl 2-fluorobenzoate?
The CAS number of 4-Nitrobenzyl 2-fluorobenzoate is 4457-42-5.
What is the molecular formula of 4-Nitrobenzyl 2-fluorobenzoate?
The molecular formula of 4-Nitrobenzyl 2-fluorobenzoate is C14H10FNO4.
What is the molecular weight of 4-Nitrobenzyl 2-fluorobenzoate?
The molecular weight of 4-Nitrobenzyl 2-fluorobenzoate is 275.06 g/mol.
Where can I buy 4-Nitrobenzyl 2-fluorobenzoate?
You can request a quote for 4-Nitrobenzyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.