1,3,7-Triethylxanthine
TL;DR: 1,3,7-Triethylxanthine (CAS 31542-50-4) is a chemical compound with molecular formula C11H16N4O2 and molecular weight 236.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,7-triethylpurine-2,6-dione
Also Known As: 1,3,7-Triethylxanthine, Xanthine, 1,3,7-triethyl-, Xanthine,3,7-triethyl-, triethyl-1,3,7 xanthine, SC 4268
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16N4O2 |
| Molecular Weight | 236.12732 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.12732 Da |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
| SMILES | CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CC |
| InChIKey | RUZDFVZSCVNECE-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,7-Triethylxanthine
Property Insights of 1,3,7-Triethylxanthine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7-Triethylxanthine. With a topological polar surface area (TPSA) of 58.4 Ų, 1,3,7-Triethylxanthine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,7-Triethylxanthine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3,7-Triethylxanthine?
The CAS number of 1,3,7-Triethylxanthine is 31542-50-4.
What is the molecular formula of 1,3,7-Triethylxanthine?
The molecular formula of 1,3,7-Triethylxanthine is C11H16N4O2.
What is the molecular weight of 1,3,7-Triethylxanthine?
The molecular weight of 1,3,7-Triethylxanthine is 236.12732 g/mol.
Where can I buy 1,3,7-Triethylxanthine?
You can request a quote for 1,3,7-Triethylxanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,7-Triethylxanthine?
Yes, CoreyChem provides custom synthesis services for 1,3,7-Triethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.