Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride
TL;DR: Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride (CAS 55300-46-4) is a chemical compound with molecular formula C31H27Cl2F9N4O2 and molecular weight 728.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate;dihydrochloride
Also Known As: Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride, Piperazineethanol 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl) Anthranilate Dihydrochloride, 2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate dihydrochloride, 2-{4-[3,5-Bis(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate--hydrogen chloride (1/2), Benzoic acid, 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]-, 2-[4-[3,5-bis(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester, dihydrochloride
| Molecular Formula | C31H27Cl2F9N4O2 |
|---|---|
| Molecular Weight | 728.14 g/mol |
| LogP | 8.8574 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 728.1367 |
| Heavy Atoms | 48 |
| Complexity | 1693.0491 |
Chemical Identifiers
| CAS Number | 55300-46-4 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.Cl.Cl |
Product Overview
Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride (CAS 55300-46-4), with molecular formula C31H27Cl2F9N4O2 and molecular weight 728.14 g/mol. IUPAC: 2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate;dihydrochloride.
Chemical Property Profile of Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride
Property Insights of Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride
The XLogP value of 8.8574 indicates that Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-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-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride has 1 hydrogen bond donor(s) and 6 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-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride?
The CAS number of Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride is 55300-46-4.
What is the molecular formula of Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride?
The molecular formula of Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride is C31H27Cl2F9N4O2.
What is the molecular weight of Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride?
The molecular weight of Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride is 728.14 g/mol.
Where can I buy Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride?
You can request a quote for Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-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-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Piperazineethanol, 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.