8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione (CAS 126118-54-5) is a chemical compound with molecular formula C11H15BrN4O2 and molecular weight 314.03784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-3-methyl-7-pentylpurine-2,6-dione
Also Known As: 8-bromo-3-methyl-7-pentylpurine-2,6-dione, 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione, BAS 00162572, 8-bromo-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C11H15BrN4O2 |
| Molecular Weight | 314.03784 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.03784 Da |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
| SMILES | CCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C |
| InChIKey | RNMASMHUOZXZPC-UHFFFAOYSA-N |
Chemical Property Profile of 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione 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
What is the CAS number of 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione is 126118-54-5.
What is the molecular formula of 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione is C11H15BrN4O2.
What is the molecular weight of 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione is 314.03784 g/mol.
Where can I buy 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-3-methyl-7-pentyl-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-pentyl-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 8-bromo-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.