TL;DR: Azepindole (CAS 26304-61-0) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.11569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole
Also Known As: Azepindol, Azepindole [USAN:INN], AZEPINDOLE [INN], Azepindole (USAN/INN), AZEPINDOLE [USAN]
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H14N2 |
| Molecular Weight | 186.11569 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 17.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.11569 Da |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
| SMILES | C1CNCC2=CC3=CC=CC=C3N2C1 |
| InChIKey | FEJCIXJKPISCJV-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepindole. With a topological polar surface area (TPSA) of 17.0 Ų, Azepindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepindole 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 Azepindole is 26304-61-0.
The molecular formula of Azepindole is C12H14N2.
The molecular weight of Azepindole is 186.11569 g/mol.
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