2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
TL;DR: 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline (CAS 685853-98-9) is a chemical compound with molecular formula C12H16F3N3 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
Also Known As: 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline, Bionet2_001224, 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)-aniline, 2-(4-methylpiperazino)-5-(trifluoromethyl)aniline, 2-(4-methylpiperazinyl)-5-(trifluoromethyl)phenylamine
| Molecular Formula | C12H16F3N3 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.12964 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 685853-98-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N |
| InChIKey | COSZABZQSFPDEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline (CAS 685853-98-9), with molecular formula C12H16F3N3 and molecular weight 259.13 g/mol. IUPAC: 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline.
Chemical Property Profile of 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
Property Insights of 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 32.5 Ų, 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline 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 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline?
The CAS number of 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline is 685853-98-9.
What is the molecular formula of 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline?
The molecular formula of 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline is C12H16F3N3.
What is the molecular weight of 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline?
The molecular weight of 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline is 259.13 g/mol.
Where can I buy 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline?
You can request a quote for 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.