Chloroquine 4-acetaminosalicylate
TL;DR: Chloroquine 4-acetaminosalicylate (CAS 58-77-5) is a chemical compound with molecular formula C36H44ClN5O8 and molecular weight 709.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-acetamido-2-hydroxybenzoic acid);4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Also Known As: Chloroquine 4-acetaminosalicylate, 4-Acetaminosalicylate de chloroquine, 4-Acetaminosalicylate de chloroquine [French], Chloroquinsalz der 4-azetaminosalizylsaeure, Chloroquinsalz der 4-azetaminosalizylsaeure [German]
| Molecular Formula | C36H44ClN5O8 |
|---|---|
| Molecular Weight | 709.29 g/mol |
| LogP | 6.91 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 709.28784 |
| Heavy Atoms | 50 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 58-77-5 |
|---|---|
| SMILES | CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC(=O)NC1=CC(=C(C=C1)C(=O)O)O.CC(=O)NC1=CC(=C(C=C1)C(=O)O)O |
| InChIKey | HNSHEDCTSKWTMC-UHFFFAOYSA-N |
Product Overview
Chloroquine 4-acetaminosalicylate (CAS 58-77-5), with molecular formula C36H44ClN5O8 and molecular weight 709.29 g/mol. IUPAC: bis(4-acetamido-2-hydroxybenzoic acid);4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
Chemical Property Profile of Chloroquine 4-acetaminosalicylate
Property Insights of Chloroquine 4-acetaminosalicylate
The XLogP value of 6.91 indicates that Chloroquine 4-acetaminosalicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting Chloroquine 4-acetaminosalicylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chloroquine 4-acetaminosalicylate has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chloroquine 4-acetaminosalicylate?
The CAS number of Chloroquine 4-acetaminosalicylate is 58-77-5.
What is the molecular formula of Chloroquine 4-acetaminosalicylate?
The molecular formula of Chloroquine 4-acetaminosalicylate is C36H44ClN5O8.
What is the molecular weight of Chloroquine 4-acetaminosalicylate?
The molecular weight of Chloroquine 4-acetaminosalicylate is 709.29 g/mol.
Where can I buy Chloroquine 4-acetaminosalicylate?
You can request a quote for Chloroquine 4-acetaminosalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroquine 4-acetaminosalicylate?
Yes, KEHONG BIO provides custom synthesis services for Chloroquine 4-acetaminosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.