1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride
TL;DR: 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride (CAS 55432-85-4) is a chemical compound with molecular formula C15H20ClF3N2O2S and molecular weight 384.09 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]ethyl acetate;hydrochloride
Also Known As: 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride, 4-(3-((Trifluoromethyl)thio)phenyl)-1-piperazineethanol acetate (ester) monohydrochloride, 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl acetate hydrochloride, 2-(4-{3-[(Trifluoromethyl)sulfanyl]phenyl}piperazin-1-yl)ethyl acetate--hydrogen chloride (1/1), RefChem:233750
| Molecular Formula | C15H20ClF3N2O2S |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 3.4054 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.08862 |
| Heavy Atoms | 24 |
| Complexity | 537.6956 |
Chemical Identifiers
| CAS Number | 55432-85-4 |
|---|---|
| SMILES | CC(=O)OCCN1CCN(CC1)C2=CC(=CC=C2)SC(F)(F)F.Cl |
Product Overview
1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride (CAS 55432-85-4), with molecular formula C15H20ClF3N2O2S and molecular weight 384.09 g/mol. IUPAC: 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride.
Chemical Property Profile of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride
Property Insights of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride
The XLogP value of 3.4054 indicates that 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride 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 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride?
The CAS number of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride is 55432-85-4.
What is the molecular formula of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride?
The molecular formula of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride is C15H20ClF3N2O2S.
What is the molecular weight of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride?
The molecular weight of 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride is 384.09 g/mol.
Where can I buy 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride?
You can request a quote for 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), 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)-, acetate (ester), monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.