![2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate structure](/static/products/4000/400086-63-7.webp)
2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
TL;DR: 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate (CAS 400086-63-7) is a chemical compound with molecular formula C18H17F4N3O2 and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
Also Known As: 7G-374S, 2,2,2-trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate, 2,2,2-trifluoroethyl 6-[4-(4-fluorophenyl)piperazino]nicotinate
| Molecular Formula | C18H17F4N3O2 |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.2664 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.1257 |
| Heavy Atoms | 27 |
| Complexity | 770.6889 |
Chemical Identifiers
| CAS Number | 400086-63-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=C(C=C3)C(=O)OCC(F)(F)F |
Product Overview
2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate (CAS 400086-63-7), with molecular formula C18H17F4N3O2 and molecular weight 383.13 g/mol. IUPAC: 2,2,2-trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
Property Insights of 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
The XLogP value of 3.2664 indicates that 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate 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-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate 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-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate?
The CAS number of 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate is 400086-63-7.
What is the molecular formula of 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate?
The molecular formula of 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate is C18H17F4N3O2.
What is the molecular weight of 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate?
The molecular weight of 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate is 383.13 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate?
You can request a quote for 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate 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-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.