N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine
TL;DR: N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine (CAS 33400-49-6) is a chemical compound with molecular formula C12H11FN4O2 and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
Also Known As: N2-(4-Fluorobenzyl)-5-nitropyridine-2,6-diamine, 2-amino-3-nitro-6-(4-fluorobenzylamino)pyridine, Flupirtine Impurity 2, 2-AMINO-6-(4-FLUOROBENZYLAMINO)-3-NITROPYRIDINE, N6-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
| Molecular Formula | C12H11FN4O2 |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0866 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 33400-49-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=NC(=C(C=C2)[N+](=O)[O-])N)F |
| InChIKey | ZVCIIRBNNSUNCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine (CAS 33400-49-6), with molecular formula C12H11FN4O2 and molecular weight 262.09 g/mol. IUPAC: 6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine.
Chemical Property Profile of N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine
Property Insights of N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine. Following Lipinski's Rule of Five, N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine has 2 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 N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine?
The CAS number of N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine is 33400-49-6.
What is the molecular formula of N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine?
The molecular formula of N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine is C12H11FN4O2.
What is the molecular weight of N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine?
The molecular weight of N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine is 262.09 g/mol.
Where can I buy N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine?
You can request a quote for N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.