9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione
TL;DR: 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione (CAS 5350-24-3) is a chemical compound with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-8-methylsulfanyl-3H-purine-2,6-dione
Also Known As: 9-Methyl-8-methylthioxanthin, 9-methyl-8-methylsulfanyl-3H-purine-2,6-dione, 9-methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione, 9-Methyl-8-(methylthio)-1H-purine-2,6(3H,9H)-dione
| Molecular Formula | C7H8N4O2S |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.0368 |
| Heavy Atoms | 14 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 5350-24-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC(=O)N2)N=C1SC |
| InChIKey | LFMVZURNICHXPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione (CAS 5350-24-3), with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol. IUPAC: 9-methyl-8-methylsulfanyl-3H-purine-2,6-dione.
Chemical Property Profile of 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione
Property Insights of 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione has 2 hydrogen bond donor(s) and 4 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 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione?
The CAS number of 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione is 5350-24-3.
What is the molecular formula of 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione?
The molecular formula of 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione is C7H8N4O2S.
What is the molecular weight of 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione?
The molecular weight of 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione is 212.04 g/mol.
Where can I buy 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione?
You can request a quote for 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-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 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.