(E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 1164455-56-4) is a chemical compound with molecular formula C11H14N4O2S and molecular weight 266.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(E)-but-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione
Also Known As: (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione, AB00400697-11, 7-[(E)-but-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione, F0372-0552, 7-((2E)but-2-enyl)-3-methyl-8-methylthio-1,3,7-trihydropurine-2,6-dione
Technical Specifications
| Molecular Formula | C11H14N4O2S |
| Molecular Weight | 266.08374 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.08374 Da |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
| SMILES | C/C=C/CN1C2=C(N=C1SC)N(C(=O)NC2=O)C |
| InChIKey | JFSGRMRRHRUBGJ-SNAWJCMRSA-N |
Chemical Property Profile of (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-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 (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 1164455-56-4.
What is the molecular formula of (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is C11H14N4O2S.
What is the molecular weight of (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 266.08374 g/mol.
Where can I buy (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for (E)-7-(but-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.