7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione)
TL;DR: 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione) (CAS 115415-37-7) is a chemical compound with molecular formula C16H16Br2N8O4 and molecular weight 541.9661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-7-[4-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)butyl]-3-methylpurine-2,6-dione
Also Known As: 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione), 7,7'-butane-1,4-diylbis(8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione), 8-bromo-7-[4-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)butyl]-3-methyl-purine-2,6-dione, 8-bromo-7-[4-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)butyl]-3-methylpurine-2,6-dione, 8-bromo-7-[4-(8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)butyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C16H16Br2N8O4 |
| Molecular Weight | 541.9661 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.9661 Da |
| Heavy Atoms | 30 |
| Complexity | 710.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCN3C4=C(N=C3Br)N(C(=O)NC4=O)C |
| InChIKey | KBEKWUKANFLMPS-UHFFFAOYSA-N |
Chemical Property Profile of 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione)
Property Insights of 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione)
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione). The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione). Following Lipinski's Rule of Five, 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione)?
The CAS number of 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione) is 115415-37-7.
What is the molecular formula of 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione)?
The molecular formula of 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione) is C16H16Br2N8O4.
What is the molecular weight of 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione)?
The molecular weight of 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione) is 541.9661 g/mol.
Where can I buy 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione)?
You can request a quote for 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-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 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione)?
Yes, CoreyChem provides custom synthesis services for 7,7'-(butane-1,4-diyl)bis(8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.