5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione
TL;DR: 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione (CAS 159627-92-6) is a chemical compound with molecular formula C13H14N4O2S and molecular weight 290.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5-dimethyl-2-(7H-purin-6-ylsulfanyl)cyclohexane-1,3-dione
Also Known As: 5,5-dimethyl-2-(7H-purin-6-ylsulfanyl)cyclohexane-1,3-dione, 2-((9H-purin-6-yl)thio)-5,5-dimethylcyclohexane-1,3-dione, 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione
Technical Specifications
| Molecular Formula | C13H14N4O2S |
| Molecular Weight | 290.08374 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.08374 Da |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
| SMILES | CC1(CC(=O)C(C(=O)C1)SC2=NC=NC3=C2NC=N3)C |
| InChIKey | VUSVSZROCPBCSW-UHFFFAOYSA-N |
Chemical Property Profile of 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione
Property Insights of 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione. Following Lipinski's Rule of Five, 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione?
The CAS number of 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione is 159627-92-6.
What is the molecular formula of 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione?
The molecular formula of 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione is C13H14N4O2S.
What is the molecular weight of 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione?
The molecular weight of 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione is 290.08374 g/mol.
Where can I buy 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione?
You can request a quote for 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 5,5-dimethyl-2-(9H-purin-6-ylsulfanyl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.