喹哌
TL;DR: 喹哌 (CAS 4085-31-8) is a chemical compound with molecular formula C29H32Cl2N6 and molecular weight 534.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
喹哌
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline
Also Known As: piperaquine, Piperaquinoline, Piperaquine phosphate, piperaquine [INN], Piperaquine tetraphosphate
| Molecular Formula | C29H32Cl2N6 |
|---|---|
| Molecular Weight | 534.21 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.20654 |
| Heavy Atoms | 37 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 4085-31-8 |
|---|---|
| SMILES | C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl |
| InChIKey | UCRHFBCYFMIWHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
喹哌 (CAS 4085-31-8), with molecular formula C29H32Cl2N6 and molecular weight 534.21 g/mol. IUPAC: 7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline.
Chemical Property Profile of 喹哌
Property Insights of 喹哌
The XLogP value of 5.6 indicates that 喹哌 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 喹哌 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 喹哌 has 0 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 喹哌?
The CAS number of 喹哌 is 4085-31-8.
What is the molecular formula of 喹哌?
The molecular formula of 喹哌 is C29H32Cl2N6.
What is the molecular weight of 喹哌?
The molecular weight of 喹哌 is 534.21 g/mol.
Where can I buy 喹哌?
You can request a quote for 喹哌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 喹哌?
Yes, KEHONG BIO provides custom synthesis services for 喹哌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.