8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
TL;DR: 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione (CAS 313470-45-0) is a chemical compound with molecular formula C9H11BrN4O3 and molecular weight 302.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: 8-bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione, 8-Bromo-3,7-dihydro-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6-dione, 8-bromo-3-methyl-7-beta-methoxyethylxanthine, 8-Bromo-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-bromo-7-(2-methoxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C9H11BrN4O3 |
|---|---|
| Molecular Weight | 302.00 g/mol |
| LogP | -0.1678 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.00146 |
| Heavy Atoms | 17 |
| Complexity | 669.15643 |
Chemical Identifiers
| CAS Number | 313470-45-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCOC |
Product Overview
8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione (CAS 313470-45-0), with molecular formula C9H11BrN4O3 and molecular weight 302.00 g/mol. IUPAC: 8-bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Property Insights of 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
The XLogP value of -0.1678 indicates that 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione has 1 hydrogen bond donor(s) and 4 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-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
The CAS number of 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione is 313470-45-0.
What is the molecular formula of 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
The molecular formula of 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione is C9H11BrN4O3.
What is the molecular weight of 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
The molecular weight of 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione is 302.00 g/mol.
Where can I buy 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
You can request a quote for 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.