8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
TL;DR: 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione (CAS 359709-03-8) is a chemical compound with molecular formula C13H17BrN4O3 and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
Also Known As: NCI60_027691, 8-bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione, 8-bromo-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione, 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-, 8-bromo-3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1h-purine-2,6-dione
| Molecular Formula | C13H17BrN4O3 |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.0484 |
| Heavy Atoms | 21 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 359709-03-8 |
|---|---|
| SMILES | CC(=O)CCCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C |
| InChIKey | FUOVLWFMUJGYNB-UHFFFAOYSA-N |
Product Overview
8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione (CAS 359709-03-8), with molecular formula C13H17BrN4O3 and molecular weight 356.05 g/mol. IUPAC: 8-bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione.
Chemical Property Profile of 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
Property Insights of 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione has 0 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-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione?
The CAS number of 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione is 359709-03-8.
What is the molecular formula of 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione?
The molecular formula of 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione is C13H17BrN4O3.
What is the molecular weight of 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione?
The molecular weight of 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione is 356.05 g/mol.
Where can I buy 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione?
You can request a quote for 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)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-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.