2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline
TL;DR: 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline (CAS 304478-79-3) is a chemical compound with molecular formula C14H11FN2O2 and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluoro-5-nitrophenyl)-1-(2-methylphenyl)methanimine
Also Known As: (2-fluoro-5-nitrophenyl)(2-methylbenzylidene)amine, N-(2-fluoro-5-nitrophenyl)-1-(2-methylphenyl)methanimine, 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline, (1E)-1-(2-fluoro-5-nitrophenyl)-2-(2-methylphenyl)-1-azaethene
| Molecular Formula | C14H11FN2O2 |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.08044 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 304478-79-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C=NC2=C(C=CC(=C2)[N+](=O)[O-])F |
| InChIKey | RDUHEPFQQOUJPX-UHFFFAOYSA-N |
Product Overview
2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline (CAS 304478-79-3), with molecular formula C14H11FN2O2 and molecular weight 258.08 g/mol. IUPAC: N-(2-fluoro-5-nitrophenyl)-1-(2-methylphenyl)methanimine.
Chemical Property Profile of 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline
Property Insights of 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline
The XLogP value of 3.5 indicates that 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline 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 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline?
The CAS number of 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline is 304478-79-3.
What is the molecular formula of 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline?
The molecular formula of 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline is C14H11FN2O2.
What is the molecular weight of 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline?
The molecular weight of 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline is 258.08 g/mol.
Where can I buy 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline?
You can request a quote for 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-N-[(E)-(2-methylphenyl)methylidene]-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.