7,8-dimethyl-3H-purine-2,6-dione
TL;DR: 7,8-dimethyl-3H-purine-2,6-dione (CAS 6635-92-3) is a chemical compound with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-3H-purine-2,6-dione
Also Known As: 7,8-dimethyl-3H-purine-2,6-dione, 3H-Purine-2,6-dione, 7,8-dimethyl-, 7,8-dimethyl-3,7-dihydro-1h-purine-2,6-dione, 1H-Purine-2,6-dione,3,7-dihydrodimethyl- (9CI)
| Molecular Formula | C7H8N4O2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.06473 |
| Heavy Atoms | 13 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 6635-92-3 |
|---|---|
| SMILES | CC1=NC2=C(N1C)C(=O)NC(=O)N2 |
| InChIKey | FAKYNVGUWKZRSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,8-dimethyl-3H-purine-2,6-dione (CAS 6635-92-3), with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol. IUPAC: 7,8-dimethyl-3H-purine-2,6-dione.
Chemical Property Profile of 7,8-dimethyl-3H-purine-2,6-dione
Property Insights of 7,8-dimethyl-3H-purine-2,6-dione
The XLogP value of -0.5 indicates that 7,8-dimethyl-3H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-dimethyl-3H-purine-2,6-dione. Following Lipinski's Rule of Five, 7,8-dimethyl-3H-purine-2,6-dione has 2 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 7,8-dimethyl-3H-purine-2,6-dione?
The CAS number of 7,8-dimethyl-3H-purine-2,6-dione is 6635-92-3.
What is the molecular formula of 7,8-dimethyl-3H-purine-2,6-dione?
The molecular formula of 7,8-dimethyl-3H-purine-2,6-dione is C7H8N4O2.
What is the molecular weight of 7,8-dimethyl-3H-purine-2,6-dione?
The molecular weight of 7,8-dimethyl-3H-purine-2,6-dione is 180.06 g/mol.
Where can I buy 7,8-dimethyl-3H-purine-2,6-dione?
You can request a quote for 7,8-dimethyl-3H-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 7,8-dimethyl-3H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7,8-dimethyl-3H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.