n-(3-Fluorophenyl)-2-nitroaniline
TL;DR: n-(3-Fluorophenyl)-2-nitroaniline (CAS 3246-78-4) is a chemical compound with molecular formula C12H9FN2O2 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-2-nitroaniline
Also Known As: n-(3-fluorophenyl)-2-nitroaniline, NCIOpen2_005785, 2-Nitro-3'-fluor-diphenylamin, Benzenamine, N-(3-fluorophenyl)-2-nitro-, N-(3-fluorophenyl)-N-(2-nitrophenyl)amine
| Molecular Formula | C12H9FN2O2 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0648 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 3246-78-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=CC(=CC=C2)F)[N+](=O)[O-] |
| InChIKey | UVFHTYFDGVMEAP-UHFFFAOYSA-N |
Product Overview
n-(3-Fluorophenyl)-2-nitroaniline (CAS 3246-78-4), with molecular formula C12H9FN2O2 and molecular weight 232.06 g/mol. IUPAC: N-(3-fluorophenyl)-2-nitroaniline.
Chemical Property Profile of n-(3-Fluorophenyl)-2-nitroaniline
Property Insights of n-(3-Fluorophenyl)-2-nitroaniline
The XLogP value of 3.8 indicates that n-(3-Fluorophenyl)-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, n-(3-Fluorophenyl)-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(3-Fluorophenyl)-2-nitroaniline has 1 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 n-(3-Fluorophenyl)-2-nitroaniline?
The CAS number of n-(3-Fluorophenyl)-2-nitroaniline is 3246-78-4.
What is the molecular formula of n-(3-Fluorophenyl)-2-nitroaniline?
The molecular formula of n-(3-Fluorophenyl)-2-nitroaniline is C12H9FN2O2.
What is the molecular weight of n-(3-Fluorophenyl)-2-nitroaniline?
The molecular weight of n-(3-Fluorophenyl)-2-nitroaniline is 232.06 g/mol.
Where can I buy n-(3-Fluorophenyl)-2-nitroaniline?
You can request a quote for n-(3-Fluorophenyl)-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(3-Fluorophenyl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for n-(3-Fluorophenyl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.