1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride
TL;DR: 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride (CAS 54711-68-1) is a chemical compound with molecular formula C13H18ClF3N2OS and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethanol;hydrochloride
Also Known As: 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride, 4-(3-((Trifluoromethyl)thio)phenyl)-1-piperazineethanol monohydrochloride, 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethanol hydrochloride, 2-(4-{3-[(Trifluoromethyl)sulfanyl]phenyl}piperazin-1-yl)ethan-1-ol--hydrogen chloride (1/1), RefChem:233751
| Molecular Formula | C13H18ClF3N2OS |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 2.8346 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.07803 |
| Heavy Atoms | 21 |
| Complexity | 439.6697 |
Chemical Identifiers
| CAS Number | 54711-68-1 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2=CC(=CC=C2)SC(F)(F)F.Cl |
Product Overview
1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride (CAS 54711-68-1), with molecular formula C13H18ClF3N2OS and molecular weight 342.08 g/mol. IUPAC: 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethanol;hydrochloride.
Chemical Property Profile of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride
Property Insights of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride
The XLogP value of 2.8346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride. With a topological polar surface area (TPSA) of 26.71 Ų, 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 4 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-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride?
The CAS number of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride is 54711-68-1.
What is the molecular formula of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride?
The molecular formula of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride is C13H18ClF3N2OS.
What is the molecular weight of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride?
The molecular weight of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride is 342.08 g/mol.
Where can I buy 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride?
You can request a quote for 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.