Purine 3-oxide
TL;DR: Purine 3-oxide (CAS 67900-85-0) is a chemical compound with molecular formula C5H4N4O and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxypurine
Also Known As: Purine 3-oxide, 3-hydroxypurine, Purine N-oxide, Purine-3-oxide, 1H-Purine, 3-oxide
| Molecular Formula | C5H4N4O |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.03851 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 67900-85-0 |
|---|---|
| SMILES | C1=C2C(=NC=N2)N(C=N1)O |
| InChIKey | CYYQSLSRZGVVHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Purine 3-oxide (CAS 67900-85-0), with molecular formula C5H4N4O and molecular weight 136.04 g/mol. IUPAC: 3-hydroxypurine.
Chemical Property Profile of Purine 3-oxide
Property Insights of Purine 3-oxide
The XLogP value of -0.2 indicates that Purine 3-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Purine 3-oxide. Following Lipinski's Rule of Five, Purine 3-oxide has 1 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 Purine 3-oxide?
The CAS number of Purine 3-oxide is 67900-85-0.
What is the molecular formula of Purine 3-oxide?
The molecular formula of Purine 3-oxide is C5H4N4O.
What is the molecular weight of Purine 3-oxide?
The molecular weight of Purine 3-oxide is 136.04 g/mol.
Where can I buy Purine 3-oxide?
You can request a quote for Purine 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purine 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for Purine 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.