n-Ethyl-4-fluoro-2-nitroaniline
TL;DR: n-Ethyl-4-fluoro-2-nitroaniline (CAS 52856-39-0) is a chemical compound with molecular formula C8H9FN2O2 and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-fluoro-2-nitroaniline
Also Known As: n-ethyl-4-fluoro-2-nitroaniline, 4-Fluor-2-nitro-N-ethyl-anilin, Benzenamine,N-ethyl-4-fluoro-2-nitro-, N-Ethyl 4-fluoro-2-nitroaniline, BUTTPARK 45\01-56
| Molecular Formula | C8H9FN2O2 |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.0648 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 52856-39-0 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)F)[N+](=O)[O-] |
| InChIKey | UKKBDDJKKGVRQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Ethyl-4-fluoro-2-nitroaniline (CAS 52856-39-0), with molecular formula C8H9FN2O2 and molecular weight 184.06 g/mol. IUPAC: N-ethyl-4-fluoro-2-nitroaniline.
Chemical Property Profile of n-Ethyl-4-fluoro-2-nitroaniline
Property Insights of n-Ethyl-4-fluoro-2-nitroaniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Ethyl-4-fluoro-2-nitroaniline. With a topological polar surface area (TPSA) of 57.9 Ų, n-Ethyl-4-fluoro-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Ethyl-4-fluoro-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-Ethyl-4-fluoro-2-nitroaniline?
The CAS number of n-Ethyl-4-fluoro-2-nitroaniline is 52856-39-0.
What is the molecular formula of n-Ethyl-4-fluoro-2-nitroaniline?
The molecular formula of n-Ethyl-4-fluoro-2-nitroaniline is C8H9FN2O2.
What is the molecular weight of n-Ethyl-4-fluoro-2-nitroaniline?
The molecular weight of n-Ethyl-4-fluoro-2-nitroaniline is 184.06 g/mol.
Where can I buy n-Ethyl-4-fluoro-2-nitroaniline?
You can request a quote for n-Ethyl-4-fluoro-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-Ethyl-4-fluoro-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for n-Ethyl-4-fluoro-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.