N-(4-fluorobenzylidene)-3-nitroaniline
TL;DR: N-(4-fluorobenzylidene)-3-nitroaniline (CAS 79787-83-0) is a chemical compound with molecular formula C13H9FN2O2 and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-N-(3-nitrophenyl)methanimine
Also Known As: n-4-fluorobenzenemethanimine, N- -4-fluorobenzenemethanimine, N-(4-fluorobenzylidene)-3-nitroaniline, 1-(4-fluorophenyl)-N-(3-nitrophenyl)methanimine, 4-fluorobenzylidene(3-nitrophenyl)-amine
| Molecular Formula | C13H9FN2O2 |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 3.4845 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0648 |
| Heavy Atoms | 18 |
| Complexity | 594.1952 |
Chemical Identifiers
| CAS Number | 79787-83-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N=CC2=CC=C(C=C2)F |
Product Overview
N-(4-fluorobenzylidene)-3-nitroaniline (CAS 79787-83-0), with molecular formula C13H9FN2O2 and molecular weight 244.06 g/mol. IUPAC: 1-(4-fluorophenyl)-N-(3-nitrophenyl)methanimine.
Chemical Property Profile of N-(4-fluorobenzylidene)-3-nitroaniline
Property Insights of N-(4-fluorobenzylidene)-3-nitroaniline
The XLogP value of 3.4845 indicates that N-(4-fluorobenzylidene)-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, N-(4-fluorobenzylidene)-3-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluorobenzylidene)-3-nitroaniline 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 N-(4-fluorobenzylidene)-3-nitroaniline?
The CAS number of N-(4-fluorobenzylidene)-3-nitroaniline is 79787-83-0.
What is the molecular formula of N-(4-fluorobenzylidene)-3-nitroaniline?
The molecular formula of N-(4-fluorobenzylidene)-3-nitroaniline is C13H9FN2O2.
What is the molecular weight of N-(4-fluorobenzylidene)-3-nitroaniline?
The molecular weight of N-(4-fluorobenzylidene)-3-nitroaniline is 244.06 g/mol.
Where can I buy N-(4-fluorobenzylidene)-3-nitroaniline?
You can request a quote for N-(4-fluorobenzylidene)-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorobenzylidene)-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorobenzylidene)-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.