N-(2-fluorophenyl)-2,4-dinitroaniline
TL;DR: N-(2-fluorophenyl)-2,4-dinitroaniline (CAS 964-77-2) is a chemical compound with molecular formula C12H8FN3O4 and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2,4-dinitroaniline
Also Known As: 2'-Fluor-2,4-dinitro-diphenylamin, N-(2-fluorophenyl)-2,4-dinitroaniline, N-(2-fluorophenyl)-2,4-dinitro-aniline
| Molecular Formula | C12H8FN3O4 |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 3.3857 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.0499 |
| Heavy Atoms | 20 |
| Complexity | 690.1527 |
Chemical Identifiers
| CAS Number | 964-77-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])F |
Product Overview
N-(2-fluorophenyl)-2,4-dinitroaniline (CAS 964-77-2), with molecular formula C12H8FN3O4 and molecular weight 277.05 g/mol. IUPAC: N-(2-fluorophenyl)-2,4-dinitroaniline.
Chemical Property Profile of N-(2-fluorophenyl)-2,4-dinitroaniline
Property Insights of N-(2-fluorophenyl)-2,4-dinitroaniline
The XLogP value of 3.3857 indicates that N-(2-fluorophenyl)-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-fluorophenyl)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(2-fluorophenyl)-2,4-dinitroaniline has 1 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 N-(2-fluorophenyl)-2,4-dinitroaniline?
The CAS number of N-(2-fluorophenyl)-2,4-dinitroaniline is 964-77-2.
What is the molecular formula of N-(2-fluorophenyl)-2,4-dinitroaniline?
The molecular formula of N-(2-fluorophenyl)-2,4-dinitroaniline is C12H8FN3O4.
What is the molecular weight of N-(2-fluorophenyl)-2,4-dinitroaniline?
The molecular weight of N-(2-fluorophenyl)-2,4-dinitroaniline is 277.05 g/mol.
Where can I buy N-(2-fluorophenyl)-2,4-dinitroaniline?
You can request a quote for N-(2-fluorophenyl)-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-fluorophenyl)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-fluorophenyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.