1,7,9-trimethyl-3H-purine-2,6,8-trione
TL;DR: 1,7,9-trimethyl-3H-purine-2,6,8-trione (CAS 55441-64-0) is a chemical compound with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,9-trimethyl-3H-purine-2,6,8-trione
Also Known As: 1,7,9-Trimethyluric Acid, 1,7,9-TrimethyluricAcid, 1.7.9-Trimethylharnsaure, 1,7,9-trimethyl-3H-purine-2,6,8-trione, 1,7,9-trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
| Molecular Formula | C8H10N4O3 |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | -1.736 |
| Topological Polar Surface Area | 81.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.07529 |
| Heavy Atoms | 15 |
| Complexity | 712.27783 |
Chemical Identifiers
| CAS Number | 55441-64-0 |
|---|---|
| SMILES | CN1C2=C(NC(=O)N(C2=O)C)N(C1=O)C |
Product Overview
1,7,9-trimethyl-3H-purine-2,6,8-trione (CAS 55441-64-0), with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol. IUPAC: 1,7,9-trimethyl-3H-purine-2,6,8-trione.
Chemical Property Profile of 1,7,9-trimethyl-3H-purine-2,6,8-trione
Property Insights of 1,7,9-trimethyl-3H-purine-2,6,8-trione
The XLogP value of -1.736 indicates that 1,7,9-trimethyl-3H-purine-2,6,8-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7,9-trimethyl-3H-purine-2,6,8-trione. Following Lipinski's Rule of Five, 1,7,9-trimethyl-3H-purine-2,6,8-trione has 1 hydrogen bond donor(s) and 3 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 1,7,9-trimethyl-3H-purine-2,6,8-trione?
The CAS number of 1,7,9-trimethyl-3H-purine-2,6,8-trione is 55441-64-0.
What is the molecular formula of 1,7,9-trimethyl-3H-purine-2,6,8-trione?
The molecular formula of 1,7,9-trimethyl-3H-purine-2,6,8-trione is C8H10N4O3.
What is the molecular weight of 1,7,9-trimethyl-3H-purine-2,6,8-trione?
The molecular weight of 1,7,9-trimethyl-3H-purine-2,6,8-trione is 210.08 g/mol.
Where can I buy 1,7,9-trimethyl-3H-purine-2,6,8-trione?
You can request a quote for 1,7,9-trimethyl-3H-purine-2,6,8-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7,9-trimethyl-3H-purine-2,6,8-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,7,9-trimethyl-3H-purine-2,6,8-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.