Guaithylline
TL;DR: Guaithylline (CAS 5634-38-8) is a chemical compound with molecular formula C17H22N4O6 and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7H-purine-2,6-dione;3-(2-methoxyphenoxy)propane-1,2-diol
Also Known As: Guaithylline, Guaifylline, Eclabron, Guaifyllinum, Guaifilina
| Molecular Formula | C17H22N4O6 |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | -0.61 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.15393 |
| Heavy Atoms | 27 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 5634-38-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC1=CC=CC=C1OCC(CO)O |
| InChIKey | PVKUHCBHOUMGJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guaithylline (CAS 5634-38-8), with molecular formula C17H22N4O6 and molecular weight 378.15 g/mol. IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;3-(2-methoxyphenoxy)propane-1,2-diol.
Chemical Property Profile of Guaithylline
Property Insights of Guaithylline
The XLogP value of -0.61 indicates that Guaithylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Guaithylline. Following Lipinski's Rule of Five, Guaithylline has 3 hydrogen bond donor(s) and 7 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 Guaithylline?
The CAS number of Guaithylline is 5634-38-8.
What is the molecular formula of Guaithylline?
The molecular formula of Guaithylline is C17H22N4O6.
What is the molecular weight of Guaithylline?
The molecular weight of Guaithylline is 378.15 g/mol.
Where can I buy Guaithylline?
You can request a quote for Guaithylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaithylline?
Yes, KEHONG BIO provides custom synthesis services for Guaithylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.