Stacofylline
TL;DR: Stacofylline (CAS 106710-46-7) is a chemical compound with molecular formula C20H33N7O3 and molecular weight 419.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propyl]piperazine-1-carboxamide
Also Known As: Stacofylline, estacofilina, stacofyllinum, Stacofylline [INN], n,n-diethyl-4-[3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propyl]piperazine-1-carboxamide
| Molecular Formula | C20H33N7O3 |
|---|---|
| Molecular Weight | 419.26 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.2645 |
| Heavy Atoms | 30 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 106710-46-7 |
|---|---|
| SMILES | CCN(CC)C(=O)N1CCN(CC1)CCCC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C |
| InChIKey | PKXWXHGLEXOSQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Stacofylline (CAS 106710-46-7), with molecular formula C20H33N7O3 and molecular weight 419.26 g/mol. IUPAC: N,N-diethyl-4-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propyl]piperazine-1-carboxamide.
Chemical Property Profile of Stacofylline
Property Insights of Stacofylline
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stacofylline. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Stacofylline. Following Lipinski's Rule of Five, Stacofylline has 0 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 Stacofylline?
The CAS number of Stacofylline is 106710-46-7.
What is the molecular formula of Stacofylline?
The molecular formula of Stacofylline is C20H33N7O3.
What is the molecular weight of Stacofylline?
The molecular weight of Stacofylline is 419.26 g/mol.
Where can I buy Stacofylline?
You can request a quote for Stacofylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stacofylline?
Yes, KEHONG BIO provides custom synthesis services for Stacofylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.