8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 100698-52-0) is a chemical compound with molecular formula C9H11BrN4O4 and molecular weight 318.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00844058, 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione, 7-(2,3-dihydroxypropyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione, 8-Bromo-7-(2,3-dihydroxy-propyl)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C9H11BrN4O4 |
|---|---|
| Molecular Weight | 318.00 g/mol |
| LogP | -1.461 |
| Topological Polar Surface Area | 113.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.99637 |
| Heavy Atoms | 18 |
| Complexity | 700.88116 |
Chemical Identifiers
| CAS Number | 100698-52-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(CO)O |
Product Overview
8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 100698-52-0), with molecular formula C9H11BrN4O4 and molecular weight 318.00 g/mol. IUPAC: 8-bromo-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -1.461 indicates that 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 3 hydrogen bond donor(s) and 5 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-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 100698-52-0.
What is the molecular formula of 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C9H11BrN4O4.
What is the molecular weight of 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 318.00 g/mol.
Where can I buy 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-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-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.