Chloroquine diorotate
TL;DR: Chloroquine diorotate (CAS 16301-30-7) is a chemical compound with molecular formula C28H34ClN7O8 and molecular weight 631.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid)
Also Known As: Chloroquine diorotate, Kidola, Kidora, CHLOROQUINE DIOROTATE [WHO-DD], 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid compd. with N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine (2:1)
| Molecular Formula | C28H34ClN7O8 |
|---|---|
| Molecular Weight | 631.22 g/mol |
| LogP | 2.33 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 631.21576 |
| Heavy Atoms | 44 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 16301-30-7 |
|---|---|
| SMILES | CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.C1=C(NC(=O)NC1=O)C(=O)O.C1=C(NC(=O)NC1=O)C(=O)O |
| InChIKey | IUEFAROUKVNKKL-UHFFFAOYSA-N |
Product Overview
Chloroquine diorotate (CAS 16301-30-7), with molecular formula C28H34ClN7O8 and molecular weight 631.22 g/mol. IUPAC: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid).
Chemical Property Profile of Chloroquine diorotate
Property Insights of Chloroquine diorotate
The XLogP value of 2.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroquine diorotate. The TPSA of 219.0 Ų indicates high polarity, suggesting Chloroquine diorotate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chloroquine diorotate 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 diorotate?
The CAS number of Chloroquine diorotate is 16301-30-7.
What is the molecular formula of Chloroquine diorotate?
The molecular formula of Chloroquine diorotate is C28H34ClN7O8.
What is the molecular weight of Chloroquine diorotate?
The molecular weight of Chloroquine diorotate is 631.22 g/mol.
Where can I buy Chloroquine diorotate?
You can request a quote for Chloroquine diorotate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroquine diorotate?
Yes, KEHONG BIO provides custom synthesis services for Chloroquine diorotate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.