Sitamaquine
TL;DR: Sitamaquine (CAS 57695-04-2) is a chemical compound with molecular formula C21H33N3O and molecular weight 343.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine
Also Known As: Sitamaquine, Sitamaquina, sitamaquinum, Sitamaquine HCl, Sitamaquine [BAN]
| Molecular Formula | C21H33N3O |
|---|---|
| Molecular Weight | 343.26 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 343.26236 |
| Heavy Atoms | 25 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 57695-04-2 |
|---|---|
| SMILES | CCN(CC)CCCCCCNC1=CC(=CC2=C(C=CN=C12)C)OC |
| InChIKey | RVAKDGYPIVSYEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sitamaquine (CAS 57695-04-2), with molecular formula C21H33N3O and molecular weight 343.26 g/mol. IUPAC: N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine.
Chemical Property Profile of Sitamaquine
Property Insights of Sitamaquine
The XLogP value of 4.7 indicates that Sitamaquine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, Sitamaquine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sitamaquine has 1 hydrogen bond donor(s) and 4 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 Sitamaquine?
The CAS number of Sitamaquine is 57695-04-2.
What is the molecular formula of Sitamaquine?
The molecular formula of Sitamaquine is C21H33N3O.
What is the molecular weight of Sitamaquine?
The molecular weight of Sitamaquine is 343.26 g/mol.
Where can I buy Sitamaquine?
You can request a quote for Sitamaquine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitamaquine?
Yes, KEHONG BIO provides custom synthesis services for Sitamaquine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.