1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)- (CAS 116767-83-0) is a chemical compound with molecular formula C12H16N4O2S2 and molecular weight 312.07147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(1,3-dithian-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(1,3-Dithian-2-ylmethyl)theophylline, 1-decoxy-4-ethynyl-2-fluorobenzene, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-, 3,7-Dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-1H-purine-2,6-dione, 2-(2-methylprop-2-enoyloxy)ethyl 3-methylbutanoate
Technical Specifications
| Molecular Formula | C12H16N4O2S2 |
| Molecular Weight | 312.07147 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.07147 Da |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3SCCCS3 |
| InChIKey | QWURTKQODPNCHF-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)- is 116767-83-0.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)- is C12H16N4O2S2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)- is 312.07147 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithian-2-ylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.