1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine
TL;DR: 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine (CAS 156918-08-0) is a chemical compound with molecular formula C15H24N4O4 and molecular weight 324.17975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(7,8-dihydroxyoctyl)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine, 1-(7,8-dihydroxyoctyl)-3,7-dimethyl-purine-2,6-dione, 1-(7,8-DIHYDROXYOCTYL)-3,7-DIMETHYLPURINE-2,6-DIONE, 1-(7,8-Dihydroxyoctyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 1-(7,8-dihydroxyoctyl)-3,7-dihydro-3,7-dimethyl-
Technical Specifications
| Molecular Formula | C15H24N4O4 |
| Molecular Weight | 324.17975 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.17975 Da |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCC(CO)O |
| InChIKey | VDQZHBISAJMNCZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine
Property Insights of 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine. Following Lipinski's Rule of Five, 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine has 2 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 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine?
The CAS number of 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine is 156918-08-0.
What is the molecular formula of 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine?
The molecular formula of 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine is C15H24N4O4.
What is the molecular weight of 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine?
The molecular weight of 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine is 324.17975 g/mol.
Where can I buy 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine?
You can request a quote for 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine?
Yes, CoreyChem provides custom synthesis services for 1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.