TL;DR: Azaboretidine (CAS 13969-81-8) is a chemical compound with molecular formula C2H6BN and molecular weight 55.05933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azaboretidine
Also Known As: azaboretidine, 1,2-Azaboretidine
| Molecular Formula | C2H6BN |
| Molecular Weight | 55.05933 g/mol |
| XLogP | -0.64 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 55.05933 Da |
| Heavy Atoms | 4 |
| Complexity | 22.0 |
| SMILES | B1CCN1 |
| InChIKey | CTMKOKGBHCFKGB-UHFFFAOYSA-N |
The XLogP value of -0.64 indicates that Azaboretidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 12.0 Ų, Azaboretidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azaboretidine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Azaboretidine is 13969-81-8.
The molecular formula of Azaboretidine is C2H6BN.
The molecular weight of Azaboretidine is 55.05933 g/mol.
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