![8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/116/1164480-59-4.webp)
8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione (CAS 1164480-59-4) is a chemical compound with molecular formula C13H18N4O2S and molecular weight 294.11505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-propylpurine-2,6-dione
Also Known As: BAS 01107466, AB00396592-09, 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-propylpurine-2,6-dione, 8-((2E)but-2-enylthio)-3-methyl-7-propyl-1,3,7-trihydropurine-2,6-dione
Technical Specifications
| Molecular Formula | C13H18N4O2S |
| Molecular Weight | 294.11505 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.11505 Da |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
| SMILES | CCCN1C2=C(N=C1SC/C=C/C)N(C(=O)NC2=O)C |
| InChIKey | MTTKZGROJFYNOM-GQCTYLIASA-N |
Chemical Property Profile of 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione has 1 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 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione is 1164480-59-4.
What is the molecular formula of 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione is C13H18N4O2S.
What is the molecular weight of 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione is 294.11505 g/mol.
Where can I buy 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-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 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.