1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride
TL;DR: 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride (CAS 124444-72-0) is a chemical compound with molecular formula C17H18Cl2F3N3O and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
Also Known As: 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride, Piperazine, 1-(3-pyridinylcarbonyl)-4-(3-(trifluoromethyl)phenyl)-, dihydrochloride, 1-(3-Pyridinylcarbonyl)-4-(3-(trifluoromethyl)phenyl)piperazine dihydrochloride, pyridin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone dihydrochloride, pyridin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
| Molecular Formula | C17H18Cl2F3N3O |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 3.9064 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.0779 |
| Heavy Atoms | 26 |
| Complexity | 720.69305 |
Chemical Identifiers
| CAS Number | 124444-72-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CN=CC=C3.Cl.Cl |
Product Overview
1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride (CAS 124444-72-0), with molecular formula C17H18Cl2F3N3O and molecular weight 407.08 g/mol. IUPAC: pyridin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride.
Chemical Property Profile of 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride
Property Insights of 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride
The XLogP value of 3.9064 indicates that 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride has 0 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 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride?
The CAS number of 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride is 124444-72-0.
What is the molecular formula of 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride?
The molecular formula of 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride is C17H18Cl2F3N3O.
What is the molecular weight of 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride?
The molecular weight of 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride is 407.08 g/mol.
Where can I buy 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride?
You can request a quote for 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.