1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)-
TL;DR: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)- (CAS 143759-72-2) is a chemical compound with molecular formula C29H36Cl2F2N2OS and molecular weight 568.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-ol;dihydrochloride
Also Known As: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)-, (S)-(-)-1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-phenylthiopropyl)piperazine 2HCl, (2S)-1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-ol dihydrochloride, (2S)-1-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-(phenylsulfanyl)propan-2-ol--hydrogen chloride (1/2), 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride
| Molecular Formula | C29H36Cl2F2N2OS |
|---|---|
| Molecular Weight | 568.19 g/mol |
| LogP | 6.4913 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 568.18933 |
| Heavy Atoms | 37 |
| Complexity | 974.8413 |
Chemical Identifiers
| CAS Number | 143759-72-2 |
|---|---|
| SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C[C@@H](CSC4=CC=CC=C4)O.Cl.Cl |
Product Overview
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)- (CAS 143759-72-2), with molecular formula C29H36Cl2F2N2OS and molecular weight 568.19 g/mol. IUPAC: (2S)-1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-ol;dihydrochloride.
Chemical Property Profile of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)-
Property Insights of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)-
The XLogP value of 6.4913 indicates that 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.71 Ų, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)-?
The CAS number of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)- is 143759-72-2.
What is the molecular formula of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)-?
The molecular formula of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)- is C29H36Cl2F2N2OS.
What is the molecular weight of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)-?
The molecular weight of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)- is 568.19 g/mol.
Where can I buy 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)-?
You can request a quote for 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)- 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-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.