7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione
TL;DR: 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione (CAS 7464-93-9) 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.
1,3,9-trimethyl-7H-purine-2,6,8-trione
Also Known As: 1,3,9-TRIMETHYLURIC ACID, 8-Oxocaffeine, 1,3,7-Trimethyluric acid, 1,3,9-Trimethylate, starbld0037896
| Molecular Formula | C8H10N4O3 |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.07529 |
| Heavy Atoms | 15 |
| Complexity | 414.0 |
| Melting Point | 335 °C |
Chemical Identifiers
| CAS Number | 7464-93-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)NC1=O |
| InChIKey | CWENCZHQIWXCCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione (CAS 7464-93-9), with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol. IUPAC: 1,3,9-trimethyl-7H-purine-2,6,8-trione.
Chemical Property Profile of 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione
Property Insights of 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione
The XLogP value of -0.4 indicates that 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione. Following Lipinski's Rule of Five, 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-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 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione?
The CAS number of 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione is 7464-93-9.
What is the molecular formula of 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione?
The molecular formula of 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione is C8H10N4O3.
What is the molecular weight of 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione?
The molecular weight of 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione is 210.08 g/mol.
Where can I buy 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione?
You can request a quote for 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.