Atovaquone; proguanil hydrochloride
TL;DR: Atovaquone; proguanil hydrochloride (CAS 156879-69-5) is a chemical compound with molecular formula C33H36Cl3N5O3 and molecular weight 655.18835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione;hydrochloride
Also Known As: Malarone Pediatric, Malarone, Atovaquone and proguanil, Proguanil hydrochloride, Atovaquone and Proguanil HCl
Technical Specifications
| Molecular Formula | C33H36Cl3N5O3 |
| Molecular Weight | 655.18835 g/mol |
| XLogP | 7.56 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 655.18835 Da |
| Heavy Atoms | 44 |
| Complexity | 887.0 |
| SMILES | CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl.C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O.Cl |
| InChIKey | IOTAOYHKWICOBK-UHFFFAOYSA-N |
Chemical Property Profile of Atovaquone; proguanil hydrochloride
Property Insights of Atovaquone; proguanil hydrochloride
The XLogP value of 7.56 indicates that Atovaquone; proguanil hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Atovaquone; proguanil hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atovaquone; proguanil hydrochloride has 5 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Atovaquone; proguanil hydrochloride?
The CAS number of Atovaquone; proguanil hydrochloride is 156879-69-5.
What is the molecular formula of Atovaquone; proguanil hydrochloride?
The molecular formula of Atovaquone; proguanil hydrochloride is C33H36Cl3N5O3.
What is the molecular weight of Atovaquone; proguanil hydrochloride?
The molecular weight of Atovaquone; proguanil hydrochloride is 655.18835 g/mol.
Where can I buy Atovaquone; proguanil hydrochloride?
You can request a quote for Atovaquone; proguanil hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Atovaquone; proguanil hydrochloride?
Yes, CoreyChem provides custom synthesis services for Atovaquone; proguanil hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.