8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
TL;DR: 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (CAS 10381-82-5) 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-1,3,7-trimethylpurine-2,6-dione
Also Known As: Xanthobine, 8-Bromocaffeine, Xanthobin, Caffeine, 8-bromo-, 8-Caffeine bromide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9BrN4O2 |
| Molecular Weight | 271.99088 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.99088 Da |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
| SMILES | CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C |
| InChIKey | YRLRORFORQUTKS-UHFFFAOYSA-N |
Chemical Property Profile of 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Property Insights of 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Bromo-3,7-dihydro-1,3,7-trimethyl-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 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione?
The CAS number of 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione is 10381-82-5.
What is the molecular formula of 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione?
The molecular formula of 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione is C8H9BrN4O2.
What is the molecular weight of 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione?
The molecular weight of 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione is 271.99088 g/mol.
Where can I buy 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione?
You can request a quote for 8-Bromo-3,7-dihydro-1,3,7-trimethyl-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-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.