8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 109407-25-2) is a chemical compound with molecular formula C15H13ClN4O3 and molecular weight 332.06763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-chloro-1,3-dimethyl-7-phenacylpurine-2,6-dione
Also Known As: 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-chloro-1,3-dimethyl-7-phenacylpurine-2,6-dione, 8-Chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, AJ-292/37212020, 8-chloro-1,3-dimethyl-7-phenacyl-purine-2,6-dione
Technical Specifications
| Molecular Formula | C15H13ClN4O3 |
| Molecular Weight | 332.06763 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.06763 Da |
| Heavy Atoms | 23 |
| Complexity | 523.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=CC=C3 |
| InChIKey | BEJOWNALIUYQPQ-UHFFFAOYSA-N |
Chemical Property Profile of 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione is 109407-25-2.
What is the molecular formula of 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione is C15H13ClN4O3.
What is the molecular weight of 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione is 332.06763 g/mol.
Where can I buy 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.