3,9-Dihydro-8-methyl-1H-purine-2,6-dione
TL;DR: 3,9-Dihydro-8-methyl-1H-purine-2,6-dione (CAS 17338-96-4) is a chemical compound with molecular formula C6H6N4O2 and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-3,7-dihydropurine-2,6-dione
Also Known As: 8-Methylxanthine, 8-methyl-9h-purine-2,6-diol, 8-methyl xanthine, 8-methyl-xanthine, 8-Methylxanthin
| Molecular Formula | C6H6N4O2 |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.04907 |
| Heavy Atoms | 12 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 17338-96-4 |
|---|---|
| SMILES | CC1=NC2=C(N1)C(=O)NC(=O)N2 |
| InChIKey | RTAPDZBZLSXHQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,9-Dihydro-8-methyl-1H-purine-2,6-dione (CAS 17338-96-4), with molecular formula C6H6N4O2 and molecular weight 166.05 g/mol. IUPAC: 8-methyl-3,7-dihydropurine-2,6-dione.
Chemical Property Profile of 3,9-Dihydro-8-methyl-1H-purine-2,6-dione
Property Insights of 3,9-Dihydro-8-methyl-1H-purine-2,6-dione
The XLogP value of -0.3 indicates that 3,9-Dihydro-8-methyl-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,9-Dihydro-8-methyl-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,9-Dihydro-8-methyl-1H-purine-2,6-dione has 3 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 3,9-Dihydro-8-methyl-1H-purine-2,6-dione?
The CAS number of 3,9-Dihydro-8-methyl-1H-purine-2,6-dione is 17338-96-4.
What is the molecular formula of 3,9-Dihydro-8-methyl-1H-purine-2,6-dione?
The molecular formula of 3,9-Dihydro-8-methyl-1H-purine-2,6-dione is C6H6N4O2.
What is the molecular weight of 3,9-Dihydro-8-methyl-1H-purine-2,6-dione?
The molecular weight of 3,9-Dihydro-8-methyl-1H-purine-2,6-dione is 166.05 g/mol.
Where can I buy 3,9-Dihydro-8-methyl-1H-purine-2,6-dione?
You can request a quote for 3,9-Dihydro-8-methyl-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9-Dihydro-8-methyl-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,9-Dihydro-8-methyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.