7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione (CAS 963-71-3) is a chemical compound with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-1,3-dimethyl-8-phenylpurine-2,6-dione
Also Known As: 7-hydroxy-1,3-dimethyl-8-phenylpurine-2,6-dione, 7-hydroxy-1,3-dimethyl-8-phenyl-purine-2,6-dione, I14-22482, 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione, 3,3-DIMETHYL-8-PHENYL-1H-PURINE-2,6-DIONE, 7-OXIDE
| Molecular Formula | C13H12N4O3 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.09094 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 963-71-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC=CC=C3)O |
| InChIKey | OPDYNQABGJZOPS-UHFFFAOYSA-N |
Product Overview
7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione (CAS 963-71-3), with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol. IUPAC: 7-hydroxy-1,3-dimethyl-8-phenylpurine-2,6-dione.
Chemical Property Profile of 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione 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 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione is 963-71-3.
What is the molecular formula of 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione is C13H12N4O3.
What is the molecular weight of 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione is 272.09 g/mol.
Where can I buy 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-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 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.