8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione (CAS 101072-03-1) is a chemical compound with molecular formula C10H11BrN4O3 and molecular weight 314.00146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: 8-bromo-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione, BAS 01122577, 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(1-methyl-2-oxo-1-propyl)-8-bromoxanthine, F0403-0058
Technical Specifications
| Molecular Formula | C10H11BrN4O3 |
| Molecular Weight | 314.00146 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.00146 Da |
| Heavy Atoms | 18 |
| Complexity | 416.0 |
| SMILES | CC(C(=O)C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C |
| InChIKey | SVSPOEAZYCDBKE-UHFFFAOYSA-N |
Chemical Property Profile of 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-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
What is the CAS number of 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione is 101072-03-1.
What is the molecular formula of 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione is C10H11BrN4O3.
What is the molecular weight of 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione is 314.00146 g/mol.
Where can I buy 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 8-bromo-3-methyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.