2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate
TL;DR: 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate (CAS 339011-45-9) is a chemical compound with molecular formula C19H20F3N3O2 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 6-(4-benzylpiperazin-1-yl)pyridine-3-carboxylate
Also Known As: Bionet1_003046, 2,2,2-trifluoroethyl 6-(4-benzylpiperazino)nicotinate, 7G-418S, 2,2,2-trifluoroethyl 6-(4-benzylpiperazin-1-yl)pyridine-3-carboxylate
| Molecular Formula | C19H20F3N3O2 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.1229 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.15076 |
| Heavy Atoms | 27 |
| Complexity | 743.0452 |
Chemical Identifiers
| CAS Number | 339011-45-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)OCC(F)(F)F |
Product Overview
2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate (CAS 339011-45-9), with molecular formula C19H20F3N3O2 and molecular weight 379.15 g/mol. IUPAC: 2,2,2-trifluoroethyl 6-(4-benzylpiperazin-1-yl)pyridine-3-carboxylate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate
Property Insights of 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate
The XLogP value of 3.1229 indicates that 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.67 Ų, 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate has 0 hydrogen bond donor(s) and 5 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 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate?
The CAS number of 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate is 339011-45-9.
What is the molecular formula of 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate?
The molecular formula of 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate is C19H20F3N3O2.
What is the molecular weight of 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate?
The molecular weight of 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate is 379.15 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate?
You can request a quote for 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 6-(4-benzylpiperazino)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.