2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline
TL;DR: 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline (CAS 439097-25-3) is a chemical compound with molecular formula C13H16F3N5O4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)aniline
Also Known As: Bionet1_004732, 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline, 2,6-dinitro-N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)aniline, 2,6-dinitro-N-[2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)aniline, C13H16F3N5O4
| Molecular Formula | C13H16F3N5O4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 1.8389 |
| Topological Polar Surface Area | 113.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.11545 |
| Heavy Atoms | 25 |
| Complexity | 626.5499 |
Chemical Identifiers
| CAS Number | 439097-25-3 |
|---|---|
| SMILES | C1CN(CCN1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline (CAS 439097-25-3), with molecular formula C13H16F3N5O4 and molecular weight 363.12 g/mol. IUPAC: 2,6-dinitro-N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)aniline.
Chemical Property Profile of 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline
Property Insights of 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline
The XLogP value of 1.8389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline. The TPSA of 113.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline has 2 hydrogen bond donor(s) and 7 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 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline?
The CAS number of 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline is 439097-25-3.
What is the molecular formula of 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline?
The molecular formula of 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline is C13H16F3N5O4.
What is the molecular weight of 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline?
The molecular weight of 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline is 363.12 g/mol.
Where can I buy 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline?
You can request a quote for 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-dinitro-N-(2-piperazinoethyl)-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.