![2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate structure](/static/products/5194/51941-08-3.webp)
2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate
TL;DR: 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate (CAS 51941-08-3) is a chemical compound with molecular formula C20H22F3N3O2 and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate
Also Known As: 4-(3-(Trifluoromethyl)phenyl)piperazine-1-ethyl 2-aminobenzoate, 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate, 4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol 1-(2-Aminobenzoate), 2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-aminobenzoate, 4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol 2-aminobenzoate
| Molecular Formula | C20H22F3N3O2 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1664 |
| Heavy Atoms | 28 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 51941-08-3 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2N)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | LJCWCJMUWXDVKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate (CAS 51941-08-3), with molecular formula C20H22F3N3O2 and molecular weight 393.17 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate.
Chemical Property Profile of 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate
Property Insights of 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate
The XLogP value of 4.2 indicates that 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate has 1 hydrogen bond donor(s) and 8 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-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate?
The CAS number of 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate is 51941-08-3.
What is the molecular formula of 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate?
The molecular formula of 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate is C20H22F3N3O2.
What is the molecular weight of 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate?
The molecular weight of 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate is 393.17 g/mol.
Where can I buy 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate?
You can request a quote for 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.