9-Phenyl-3,9-dihydro-1H-purine-2,6-dione
TL;DR: 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione (CAS 6305-28-8) is a chemical compound with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-phenyl-3H-purine-2,6-dione
Also Known As: 9-phenylxanthine, Xanthine,9-phenyl, Xanthine, 9-phenyl-, 9-phenyl-3H-purine-2,6-dione, 2,6-dihydroxy-9-phenylpurine
| Molecular Formula | C11H8N4O2 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.06473 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 6305-28-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=NC3=C2NC(=O)NC3=O |
| InChIKey | SMYATLOKIGVDEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Phenyl-3,9-dihydro-1H-purine-2,6-dione (CAS 6305-28-8), with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol. IUPAC: 9-phenyl-3H-purine-2,6-dione.
Chemical Property Profile of 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione
Property Insights of 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 3 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 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione?
The CAS number of 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione is 6305-28-8.
What is the molecular formula of 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione?
The molecular formula of 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione is C11H8N4O2.
What is the molecular weight of 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione?
The molecular weight of 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione is 228.06 g/mol.
Where can I buy 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione?
You can request a quote for 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-Phenyl-3,9-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.