1,3,4,5-Tetrahydropurine-2,6-dione
TL;DR: 1,3,4,5-Tetrahydropurine-2,6-dione (CAS 1174859-61-0) is a chemical compound with molecular formula C5H6N4O2 and molecular weight 154.04907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5,7-tetrahydropurine-2,6-dione
Also Known As: EINECS 278-838-3, 1,3,4,5-tetrahydropurine-2,6-dione, 3,4,5,9-tetrahydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C5H6N4O2 |
| Molecular Weight | 154.04907 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.04907 Da |
| Heavy Atoms | 11 |
| Complexity | 249.0 |
| SMILES | C1=NC2C(N1)C(=O)NC(=O)N2 |
| InChIKey | XFDDPZJZQMXPPZ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,4,5-Tetrahydropurine-2,6-dione
Property Insights of 1,3,4,5-Tetrahydropurine-2,6-dione
The XLogP value of -1.9 indicates that 1,3,4,5-Tetrahydropurine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4,5-Tetrahydropurine-2,6-dione. Following Lipinski's Rule of Five, 1,3,4,5-Tetrahydropurine-2,6-dione has 3 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 1,3,4,5-Tetrahydropurine-2,6-dione?
The CAS number of 1,3,4,5-Tetrahydropurine-2,6-dione is 1174859-61-0.
What is the molecular formula of 1,3,4,5-Tetrahydropurine-2,6-dione?
The molecular formula of 1,3,4,5-Tetrahydropurine-2,6-dione is C5H6N4O2.
What is the molecular weight of 1,3,4,5-Tetrahydropurine-2,6-dione?
The molecular weight of 1,3,4,5-Tetrahydropurine-2,6-dione is 154.04907 g/mol.
Where can I buy 1,3,4,5-Tetrahydropurine-2,6-dione?
You can request a quote for 1,3,4,5-Tetrahydropurine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,4,5-Tetrahydropurine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 1,3,4,5-Tetrahydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.