8-溴茶碱
TL;DR: 8-溴茶碱 (CAS 10381-75-6) is a chemical compound with molecular formula C7H7BrN4O2 and molecular weight 257.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-溴茶碱
8-bromo-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Bromotheophylline, Bromotheophylline, Bromotheamine, Predema, Theophylline, 8-bromo-
| Molecular Formula | C7H7BrN4O2 |
|---|---|
| Molecular Weight | 257.98 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.97525 |
| Heavy Atoms | 14 |
| Complexity | 297.0 |
| Melting Point | 295-316 ºC |
| Boiling Point | Decomposes at 300 ºC |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 10381-75-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br |
| InChIKey | SKTFQHRVFFOHTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-溴茶碱 (CAS 10381-75-6), with molecular formula C7H7BrN4O2 and molecular weight 257.98 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-溴茶碱
Property Insights of 8-溴茶碱
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-溴茶碱. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-溴茶碱. Following Lipinski's Rule of Five, 8-溴茶碱 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
Frequently Asked Questions
What is the CAS number of 8-溴茶碱?
The CAS number of 8-溴茶碱 is 10381-75-6.
What is the molecular formula of 8-溴茶碱?
The molecular formula of 8-溴茶碱 is C7H7BrN4O2.
What is the molecular weight of 8-溴茶碱?
The molecular weight of 8-溴茶碱 is 257.98 g/mol.
Where can I buy 8-溴茶碱?
You can request a quote for 8-溴茶碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-溴茶碱?
Yes, KEHONG BIO provides custom synthesis services for 8-溴茶碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.