8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 71807-41-5) is a chemical compound with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzyl-3,7-dimethylpurine-2,6-dione
Also Known As: 8-benzyltheobromine, 8-benzyl-3,7-dimethylpurine-2,6-dione, 8-benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione, 8-Benzyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-benzyl-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H14N4O2 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.11166 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 71807-41-5 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)NC(=O)N2C)CC3=CC=CC=C3 |
| InChIKey | PFFYCCASKASUJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 71807-41-5), with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol. IUPAC: 8-benzyl-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione has 1 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 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 71807-41-5.
What is the molecular formula of 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione is C14H14N4O2.
What is the molecular weight of 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 270.11 g/mol.
Where can I buy 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 8-Benzyl-3,7-dimethyl-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 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.