1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione
TL;DR: 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione (CAS 104121-70-2) is a chemical compound with molecular formula C11H16N4O2S and molecular weight 268.0994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,9-trimethyl-8-propan-2-ylsulfanylpurine-2,6-dione
Also Known As: KST-1A9684, 1,3,9-trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione, 1,3,9-trimethyl-8-propan-2-ylsulfanylpurine-2,6-dione, 1H-Purine-2,6-dione,3,9-dihydro-1,3,9-trimethyl-8-[(1-methylethyl)thio]-, 1,3,9-TRIMETHYL-8-PROPAN-2-YLSULFANYL-PURINE-2,6-DIONE
Technical Specifications
| Molecular Formula | C11H16N4O2S |
| Molecular Weight | 268.0994 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0994 Da |
| Heavy Atoms | 18 |
| Complexity | 376.0 |
| SMILES | CC(C)SC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C |
| InChIKey | NNQPHJAJCALWFR-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione
Property Insights of 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione?
The CAS number of 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione is 104121-70-2.
What is the molecular formula of 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione?
The molecular formula of 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione is C11H16N4O2S.
What is the molecular weight of 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione?
The molecular weight of 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione is 268.0994 g/mol.
Where can I buy 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione?
You can request a quote for 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 1,3,9-Trimethyl-8-(propan-2-ylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.