Tonapofylline
TL;DR: Tonapofylline (CAS 38652-53-8) is a chemical compound with molecular formula C22H32N4O4 and molecular weight 416.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid
Also Known As: Tonapofylline, Tonapofilina, tonapofyllinum, Bg 9928, Tonapofylline [USAN:INN]
| Molecular Formula | C22H32N4O4 |
|---|---|
| Molecular Weight | 416.24 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.24237 |
| Heavy Atoms | 30 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 38652-53-8 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)CCC(=O)O |
| InChIKey | ZWTVVWUOTJRXKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tonapofylline (CAS 38652-53-8), with molecular formula C22H32N4O4 and molecular weight 416.24 g/mol. IUPAC: 3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid.
Chemical Property Profile of Tonapofylline
Property Insights of Tonapofylline
The XLogP value of 4.6 indicates that Tonapofylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tonapofylline. Following Lipinski's Rule of Five, Tonapofylline has 2 hydrogen bond donor(s) and 5 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 Tonapofylline?
The CAS number of Tonapofylline is 38652-53-8.
What is the molecular formula of Tonapofylline?
The molecular formula of Tonapofylline is C22H32N4O4.
What is the molecular weight of Tonapofylline?
The molecular weight of Tonapofylline is 416.24 g/mol.
Where can I buy Tonapofylline?
You can request a quote for Tonapofylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tonapofylline?
Yes, KEHONG BIO provides custom synthesis services for Tonapofylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.