7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
TL;DR: 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (CAS 23146-05-6) is a chemical compound with molecular formula C9H11BrN4O2 and molecular weight 286.00653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(2-bromoethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-bromoethyl)theophylline, N7-bromoethyl theophylline, 7-(2-Bromoethyl)-theophylline, 7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, 7-(2-bromoethyl)-1,3-dimethylpurine-2,6-dione
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11BrN4O2 |
| Molecular Weight | 286.00653 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.00653 Da |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCBr |
| InChIKey | ZZWGXGHWFOTKNP-UHFFFAOYSA-N |
Chemical Property Profile of 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Property Insights of 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 3 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-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The CAS number of 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is 23146-05-6.
What is the molecular formula of 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The molecular formula of 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is C9H11BrN4O2.
What is the molecular weight of 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The molecular weight of 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is 286.00653 g/mol.
Where can I buy 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
You can request a quote for 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.