Quinoline deriv.
TL;DR: Quinoline deriv. (CAS 72141-56-1) is a chemical compound with molecular formula C27H22ClF3N4O3S and molecular weight 574.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
Also Known As: Quinoline deriv., Piperazine, 1-[(4-chlorophenyl)sulfonyl]-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]-, 1-((4-Chlorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)piperazine, Piperazine, 1-((4-chlorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-, [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
| Molecular Formula | C27H22ClF3N4O3S |
|---|---|
| Molecular Weight | 574.11 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 91.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 574.10535 |
| Heavy Atoms | 39 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 72141-56-1 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)S(=O)(=O)C5=CC=C(C=C5)Cl |
| InChIKey | HVICCLWOVOURCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinoline deriv. (CAS 72141-56-1), with molecular formula C27H22ClF3N4O3S and molecular weight 574.11 g/mol. IUPAC: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone.
Chemical Property Profile of Quinoline deriv.
Property Insights of Quinoline deriv.
The XLogP value of 5.3 indicates that Quinoline deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinoline deriv.. Following Lipinski's Rule of Five, Quinoline deriv. has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinoline deriv.?
The CAS number of Quinoline deriv. is 72141-56-1.
What is the molecular formula of Quinoline deriv.?
The molecular formula of Quinoline deriv. is C27H22ClF3N4O3S.
What is the molecular weight of Quinoline deriv.?
The molecular weight of Quinoline deriv. is 574.11 g/mol.
Where can I buy Quinoline deriv.?
You can request a quote for Quinoline deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinoline deriv.?
Yes, KEHONG BIO provides custom synthesis services for Quinoline deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.