TL;DR: G100 (CAS 95982-26-6) is a chemical compound with molecular formula C12H19N5O3 and molecular weight 281.1488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(3-methoxypropylamino)-1,3,7-trimethylpurine-2,6-dione
Also Known As: GLA-SE, TLR4 Agonist G100, 8-((3-Methoxypropyl)amino)caffeine, TLR 4 Agonist G100, TLR-4 Agonist G100
| Molecular Formula | C12H19N5O3 |
| Molecular Weight | 281.1488 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.1488 Da |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
| SMILES | CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)C)C |
| InChIKey | ZZQHGKMTMAORFI-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for G100. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for G100. Following Lipinski's Rule of Five, G100 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of G100 is 95982-26-6.
The molecular formula of G100 is C12H19N5O3.
The molecular weight of G100 is 281.1488 g/mol.
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