1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione
TL;DR: 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione (CAS 2850-37-5) is a chemical compound with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-8-phenyl-3,7-dihydropurine-2,6-dione
Also Known As: 1-methyl-8-phenylxanthine, 8-Phenyl-1-methylxanthine, 1-Methyl-8-phenyl-3,7-dihydro-purine-2,6-dione, BIM-0029837.P001, 1-methyl-8-phenyl-3,7-dihydropurine-2,6-dione
| Molecular Formula | C12H10N4O2 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.08037 |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 2850-37-5 |
|---|---|
| SMILES | CN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CC=C3 |
| InChIKey | UOOOWRVLSKCKGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione (CAS 2850-37-5), with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol. IUPAC: 1-methyl-8-phenyl-3,7-dihydropurine-2,6-dione.
Chemical Property Profile of 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione
Property Insights of 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione. Following Lipinski's Rule of Five, 1-Methyl-8-phenyl-3,7-dihydropurine-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 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione?
The CAS number of 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione is 2850-37-5.
What is the molecular formula of 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione?
The molecular formula of 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione is C12H10N4O2.
What is the molecular weight of 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione?
The molecular weight of 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione is 242.08 g/mol.
Where can I buy 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione?
You can request a quote for 1-Methyl-8-phenyl-3,7-dihydropurine-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 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.