氯喹
TL;DR: 氯喹 (CAS 54-05-7) is a chemical compound with molecular formula C18H26ClN3 and molecular weight 319.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯喹
4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Also Known As: chloroquine, Aralen, Chloraquine, Chlorochin, Artrichin
| Molecular Formula | C18H26ClN3 |
|---|---|
| Molecular Weight | 319.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.18152 |
| Heavy Atoms | 22 |
| Complexity | 309.0 |
| Melting Point | 87-89.5 |
| Solubility | Bitter colorless crystals, dimorphic. Freely soluble in water, less sol in neutral or alkaline pH. Stable to heat in soln pH4 to 6.5. Practically in soluble in alcohol, benzene and chloroform /Diphosphate/ |
Chemical Identifiers
| CAS Number | 54-05-7 |
|---|---|
| SMILES | CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl |
| InChIKey | WHTVZRBIWZFKQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯喹 (CAS 54-05-7), with molecular formula C18H26ClN3 and molecular weight 319.18 g/mol. IUPAC: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
Chemical Property Profile of 氯喹
Property Insights of 氯喹
The XLogP value of 4.6 indicates that 氯喹 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 氯喹 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯喹 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氯喹?
The CAS number of 氯喹 is 54-05-7.
What is the molecular formula of 氯喹?
The molecular formula of 氯喹 is C18H26ClN3.
What is the molecular weight of 氯喹?
The molecular weight of 氯喹 is 319.18 g/mol.
Where can I buy 氯喹?
You can request a quote for 氯喹 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯喹?
Yes, KEHONG BIO provides custom synthesis services for 氯喹 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.