7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione
TL;DR: 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione (CAS 148122-90-1) is a chemical compound with molecular formula C14H11BrN4O3 and molecular weight 362.00146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione
Also Known As: 7-benzoyl-8-bromotheophylline, 7-benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione, 7-benzoyl-8-bromo-1,3-dimethyl-purine-2,6-dione, 1H-Purine-2,6-dione, 7-benzoyl-8-bromo-3,7-dihydro-1,3-dimethyl-, 1H-Purine-2,6-dione, 7-benzoyl-8-bromo-3,7-dihydro-1,3-dimethyl-
Technical Specifications
| Molecular Formula | C14H11BrN4O3 |
| Molecular Weight | 362.00146 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.00146 Da |
| Heavy Atoms | 22 |
| Complexity | 508.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)C(=O)C3=CC=CC=C3 |
| InChIKey | HRCHUAZWQXCHOU-UHFFFAOYSA-N |
Chemical Property Profile of 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione
Property Insights of 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzoyl-8-bromo-1,3-dimethylpurine-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 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione?
The CAS number of 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione is 148122-90-1.
What is the molecular formula of 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione?
The molecular formula of 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione is C14H11BrN4O3.
What is the molecular weight of 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione?
The molecular weight of 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione is 362.00146 g/mol.
Where can I buy 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione?
You can request a quote for 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 7-Benzoyl-8-bromo-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.