8-Bromo-7-ethyl-3-methylpurine-2,6-dione
TL;DR: 8-Bromo-7-ethyl-3-methylpurine-2,6-dione (CAS 101071-96-9) is a chemical compound with molecular formula C8H9BrN4O2 and molecular weight 271.99088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-7-ethyl-3-methylpurine-2,6-dione
Also Known As: 8-bromo-7-ethyl-3-methylpurine-2,6-dione, 8-bromo-7-ethyl-3-methylxanthine, 8-Bromo-7-ethyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione, BAS 00162566, 8-bromo-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Technical Specifications
| Molecular Formula | C8H9BrN4O2 |
| Molecular Weight | 271.99088 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.99088 Da |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
| SMILES | CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C |
| InChIKey | QJCQOQUKCFKWMT-UHFFFAOYSA-N |
Chemical Property Profile of 8-Bromo-7-ethyl-3-methylpurine-2,6-dione
Property Insights of 8-Bromo-7-ethyl-3-methylpurine-2,6-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-7-ethyl-3-methylpurine-2,6-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-7-ethyl-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-Bromo-7-ethyl-3-methylpurine-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
What is the CAS number of 8-Bromo-7-ethyl-3-methylpurine-2,6-dione?
The CAS number of 8-Bromo-7-ethyl-3-methylpurine-2,6-dione is 101071-96-9.
What is the molecular formula of 8-Bromo-7-ethyl-3-methylpurine-2,6-dione?
The molecular formula of 8-Bromo-7-ethyl-3-methylpurine-2,6-dione is C8H9BrN4O2.
What is the molecular weight of 8-Bromo-7-ethyl-3-methylpurine-2,6-dione?
The molecular weight of 8-Bromo-7-ethyl-3-methylpurine-2,6-dione is 271.99088 g/mol.
Where can I buy 8-Bromo-7-ethyl-3-methylpurine-2,6-dione?
You can request a quote for 8-Bromo-7-ethyl-3-methylpurine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Bromo-7-ethyl-3-methylpurine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-Bromo-7-ethyl-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.