7,9-Dihydro-2H-purine-2,8(3H)-dione
TL;DR: 7,9-Dihydro-2H-purine-2,8(3H)-dione (CAS 13230-99-4) is a chemical compound with molecular formula C5H4N4O2 and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,9-dihydro-3H-purine-2,8-dione
Also Known As: Purine-2,8-diol, 7,9-Dihydro-2H-purine-2,8(3H)-dione, 2,8-Dihydroxypurine, 1H-Purine-2,8(3H,7H)-dione, DIHYDROXYPURINE
| Molecular Formula | C5H4N4O2 |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.03343 |
| Heavy Atoms | 11 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 13230-99-4 |
|---|---|
| SMILES | C1=NC(=O)NC2=C1NC(=O)N2 |
| InChIKey | PRUGQYWGIVNHEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,9-Dihydro-2H-purine-2,8(3H)-dione (CAS 13230-99-4), with molecular formula C5H4N4O2 and molecular weight 152.03 g/mol. IUPAC: 7,9-dihydro-3H-purine-2,8-dione.
Chemical Property Profile of 7,9-Dihydro-2H-purine-2,8(3H)-dione
Property Insights of 7,9-Dihydro-2H-purine-2,8(3H)-dione
The XLogP value of -1.7 indicates that 7,9-Dihydro-2H-purine-2,8(3H)-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 7,9-Dihydro-2H-purine-2,8(3H)-dione. Following Lipinski's Rule of Five, 7,9-Dihydro-2H-purine-2,8(3H)-dione has 3 hydrogen bond donor(s) and 2 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 7,9-Dihydro-2H-purine-2,8(3H)-dione?
The CAS number of 7,9-Dihydro-2H-purine-2,8(3H)-dione is 13230-99-4.
What is the molecular formula of 7,9-Dihydro-2H-purine-2,8(3H)-dione?
The molecular formula of 7,9-Dihydro-2H-purine-2,8(3H)-dione is C5H4N4O2.
What is the molecular weight of 7,9-Dihydro-2H-purine-2,8(3H)-dione?
The molecular weight of 7,9-Dihydro-2H-purine-2,8(3H)-dione is 152.03 g/mol.
Where can I buy 7,9-Dihydro-2H-purine-2,8(3H)-dione?
You can request a quote for 7,9-Dihydro-2H-purine-2,8(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,9-Dihydro-2H-purine-2,8(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7,9-Dihydro-2H-purine-2,8(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.