Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride
TL;DR: Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride (CAS 69847-93-4) is a chemical compound with molecular formula C30H28Cl2F6N4O2S2 and molecular weight 724.09 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 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate;dihydrochloride
Also Known As: Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride, 2-(4-{3-[(Trifluoromethyl)sulfanyl]phenyl}piperazin-1-yl)ethyl 2-({7-[(trifluoromethyl)sulfanyl]quinolin-4-yl}amino)benzoate--hydrogen chloride (1/2), 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate dihydrochloride, Benzoic acid, 2-[[7-[(trifluoromethyl)thio]-4-quinolinyl]amino]-, 2-[4-[3-[(trifluoromethyl)thio]phenyl]-1-piperazinyl]ethyl ester, dihydrochloride, RefChem:372699
| Molecular Formula | C30H28Cl2F6N4O2S2 |
|---|---|
| Molecular Weight | 724.09 g/mol |
| LogP | 9.0248 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 724.0935 |
| Heavy Atoms | 46 |
| Complexity | 1622.6338 |
Chemical Identifiers
| CAS Number | 69847-93-4 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)SC(F)(F)F)C5=CC(=CC=C5)SC(F)(F)F.Cl.Cl |
Product Overview
Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride (CAS 69847-93-4), with molecular formula C30H28Cl2F6N4O2S2 and molecular weight 724.09 g/mol. IUPAC: 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate;dihydrochloride.
Chemical Property Profile of Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride
Property Insights of Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride
The XLogP value of 9.0248 indicates that Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride?
The CAS number of Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride is 69847-93-4.
What is the molecular formula of Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride?
The molecular formula of Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride is C30H28Cl2F6N4O2S2.
What is the molecular weight of Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride?
The molecular weight of Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride is 724.09 g/mol.
Where can I buy Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride?
You can request a quote for Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.