3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione
TL;DR: 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione (CAS 73747-35-0) is a chemical compound with molecular formula C13H20N4O2S and molecular weight 296.1307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
Also Known As: 8-(Isopentylthio)caffeine, CAFFEINE, 8-(ISOPENTYLTHIO)-, 1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-, 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C13H20N4O2S |
| Molecular Weight | 296.1307 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.1307 Da |
| Heavy Atoms | 20 |
| Complexity | 404.0 |
| SMILES | CC(C)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C |
| InChIKey | MGAOAMZOLCYPSY-UHFFFAOYSA-N |
Chemical Property Profile of 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione
Property Insights of 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-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 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione?
The CAS number of 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione is 73747-35-0.
What is the molecular formula of 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione?
The molecular formula of 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione is C13H20N4O2S.
What is the molecular weight of 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione?
The molecular weight of 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione is 296.1307 g/mol.
Where can I buy 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione?
You can request a quote for 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.