TL;DR: 2,7-Octanediamine, N,N'-bis(2-oxazolin-2-yl)-2,7-dimethyl-, dihydrobromide (CAS 101858-30-4) is a chemical compound with molecular formula C16H32Br2N4O2 and molecular weight 470.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,7-dimethyl-7-(5H-1,2-oxazol-2-ylazaniumyl)octan-2-yl]-(5H-1,2-oxazol-2-yl)azanium dibromide
Also Known As: 2,7-OCTANEDIAMINE, N,N'-BIS(2-OXAZOLIN-2-YL)-2,7-DIMETHYL-, DIHYDROBROMIDE, 2,7-Dimethyl-(N,N'-bis(2-oxazolin-2-yl))-2,7-octanediamine, dihydrobromide, 2,7-dimethyl-n,n'-di(1,2-oxazol-2(5h)-yl)octane-2,7-diaminium dibromide, [2,7-dimethyl-7-(5H-1,2-oxazol-2-ylazaniumyl)octan-2-yl]-(5H-1,2-oxazol-2-yl)azanium dibromide
| Molecular Formula | C16H32Br2N4O2 |
| Molecular Weight | 470.0892 g/mol |
| XLogP | -5.41 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.08716 Da |
| Heavy Atoms | 24 |
| Complexity | 369.0 |
| SMILES | CC(C)(CCCCC(C)(C)[NH2+]N1C=CCO1)[NH2+]N2C=CCO2.[Br-].[Br-] |
| InChIKey | HMBONEJBRPVPKX-UHFFFAOYSA-N |
The XLogP value of -5.41 indicates that 2,7-Octanediamine, N,N'-bis(2-oxazolin-2-yl)-2,7-dimethyl-, dihydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, 2,7-Octanediamine, N,N'-bis(2-oxazolin-2-yl)-2,7-dimethyl-, dihydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Octanediamine, N,N'-bis(2-oxazolin-2-yl)-2,7-dimethyl-, dihydrobromide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,7-Octanediamine, N,N'-bis(2-oxazolin-2-yl)-2,7-dimethyl-, dihydrobromide is 101858-30-4.
The molecular formula of 2,7-Octanediamine, N,N'-bis(2-oxazolin-2-yl)-2,7-dimethyl-, dihydrobromide is C16H32Br2N4O2.
The molecular weight of 2,7-Octanediamine, N,N'-bis(2-oxazolin-2-yl)-2,7-dimethyl-, dihydrobromide is 470.0892 g/mol.
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