4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline
TL;DR: 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline (CAS 82759-10-2) is a chemical compound with molecular formula C11H15FN4O2 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline
Also Known As: 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline, J1.093.684E, 2-Nitro-4-fluoro-5-(4-methylpiperazino)aniline, 2-nitro-4-fluoro-5-(4-methylpiperazin-1-yl)aniline, 4-Fluoro-5-(4-methyl-1-piperazinyl)-2-nitroaniline
| Molecular Formula | C11H15FN4O2 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.1179 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 82759-10-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C(=C2)N)[N+](=O)[O-])F |
| InChIKey | IQGRLFTWIPYMON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline (CAS 82759-10-2), with molecular formula C11H15FN4O2 and molecular weight 254.12 g/mol. IUPAC: 4-fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline.
Chemical Property Profile of 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline
Property Insights of 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline. Following Lipinski's Rule of Five, 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline has 1 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 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
The CAS number of 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline is 82759-10-2.
What is the molecular formula of 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
The molecular formula of 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline is C11H15FN4O2.
What is the molecular weight of 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
The molecular weight of 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline is 254.12 g/mol.
Where can I buy 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
You can request a quote for 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.