8-溴咖啡因
TL;DR: 8-溴咖啡因 (CAS 10381-82-5) is a chemical compound with molecular formula C8H9BrN4O2 and molecular weight 271.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-溴咖啡因
8-bromo-1,3,7-trimethylpurine-2,6-dione
Also Known As: Xanthobine, 8-Bromocaffeine, Xanthobin, Caffeine, 8-bromo-, 8-Caffeine bromide
| Molecular Formula | C8H9BrN4O2 |
|---|---|
| Molecular Weight | 271.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.99088 |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 10381-82-5 |
|---|---|
| SMILES | CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C |
| InChIKey | YRLRORFORQUTKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-溴咖啡因 (CAS 10381-82-5), with molecular formula C8H9BrN4O2 and molecular weight 271.99 g/mol. IUPAC: 8-bromo-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-溴咖啡因
Property Insights of 8-溴咖啡因
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-溴咖啡因. With a topological polar surface area (TPSA) of 58.4 Ų, 8-溴咖啡因 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-溴咖啡因 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
Frequently Asked Questions
What is the CAS number of 8-溴咖啡因?
The CAS number of 8-溴咖啡因 is 10381-82-5.
What is the molecular formula of 8-溴咖啡因?
The molecular formula of 8-溴咖啡因 is C8H9BrN4O2.
What is the molecular weight of 8-溴咖啡因?
The molecular weight of 8-溴咖啡因 is 271.99 g/mol.
Where can I buy 8-溴咖啡因?
You can request a quote for 8-溴咖啡因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-溴咖啡因?
Yes, KEHONG BIO provides custom synthesis services for 8-溴咖啡因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.