TL;DR: 2,5-Diazabicyclo[2.2.1]heptane (CAS 132339-37-8) is a chemical compound with molecular formula C5H10N2 and molecular weight 98.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-diazabicyclo[2.2.1]heptane
Also Known As: 2,5-diazabicyclo[2.2.1]heptane, 2,5-diaza-bicyclo[2.2.1]heptane, 2,5-diazabicyclo2.2.1heptane, 3,6-diazabicyclo[2.2.1]heptane, (1S)-2,5-DIAZABICYCLO[2.2.1]HEPTANE
| Molecular Formula | C5H10N2 |
| Molecular Weight | 98.0844 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.0844 Da |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
| SMILES | C1C2CNC1CN2 |
| InChIKey | UKHJNJFJCGBKSF-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that 2,5-Diazabicyclo[2.2.1]heptane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.1 Ų, 2,5-Diazabicyclo[2.2.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Diazabicyclo[2.2.1]heptane has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,5-Diazabicyclo[2.2.1]heptane is 132339-37-8.
The molecular formula of 2,5-Diazabicyclo[2.2.1]heptane is C5H10N2.
The molecular weight of 2,5-Diazabicyclo[2.2.1]heptane is 98.0844 g/mol.
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