5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione
TL;DR: 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione (CAS 878-11-5) is a chemical compound with molecular formula C5H4N4O4 and molecular weight 184.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-3,7-dihydropurine-2,6,8-trione
Also Known As: 5-Hydroxyisourate, 5-hydroxyisouric acid, 5-hydroxy-3,7-dihydropurine-2,6,8-trione, 5H-PURINE-2,5,6,8-TETROL, 5-hydroxy-5,7-dihydro-1H-purine-2,6,8(3H)-trione
| Molecular Formula | C5H4N4O4 |
|---|---|
| Molecular Weight | 184.02 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.02325 |
| Heavy Atoms | 13 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 878-11-5 |
|---|---|
| SMILES | C12=NC(=O)NC1(C(=O)NC(=O)N2)O |
| InChIKey | LTQYPAVLAYVKTK-UHFFFAOYSA-N |
Product Overview
5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione (CAS 878-11-5), with molecular formula C5H4N4O4 and molecular weight 184.02 g/mol. IUPAC: 5-hydroxy-3,7-dihydropurine-2,6,8-trione.
Chemical Property Profile of 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione
Property Insights of 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione
The XLogP value of -2.3 indicates that 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione. Following Lipinski's Rule of Five, 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione?
The CAS number of 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione is 878-11-5.
What is the molecular formula of 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione?
The molecular formula of 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione is C5H4N4O4.
What is the molecular weight of 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione?
The molecular weight of 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione is 184.02 g/mol.
Where can I buy 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione?
You can request a quote for 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.