4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline
TL;DR: 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline (CAS 330796-48-0) 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.
4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline
Also Known As: 4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline, 4-(4-Methyl-piperazin-1-yl)-3-trifluoromethyl-phenylamine, 4-(4-Methylpiperazin-1-yl)-3, SP322, ASN 14599479
| Molecular Formula | C12H16F3N3 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 2.0394 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.12964 |
| Heavy Atoms | 18 |
| Complexity | 423.06607 |
Chemical Identifiers
| CAS Number | 330796-48-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)N)C(F)(F)F |
Product Overview
4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline (CAS 330796-48-0), with molecular formula C12H16F3N3 and molecular weight 259.13 g/mol. IUPAC: 4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline.
Chemical Property Profile of 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline
Property Insights of 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline
The XLogP value of 2.0394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 32.5 Ų, 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 3 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-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline?
The CAS number of 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline is 330796-48-0.
What is the molecular formula of 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline?
The molecular formula of 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline is C12H16F3N3.
What is the molecular weight of 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline?
The molecular weight of 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline is 259.13 g/mol.
Where can I buy 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline?
You can request a quote for 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.