TL;DR: 12-(adamantan-1-yl)-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10(15),11,13-tetraene hydrochloride (CAS 141681-99-4) is a chemical compound with molecular formula C24H31ClN2 and molecular weight 382.2176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-(1-adamantyl)-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;hydrochloride
Also Known As: 12-(adamantan-1-yl)-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10(15),11,13-tetraene hydrochloride, 8-((3r,5r,7r)-adamantan-1-yl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole hydrochloride
| Molecular Formula | C24H31ClN2 |
| Molecular Weight | 382.2176 g/mol |
| XLogP | 5.5115 |
| Topological Polar Surface Area (TPSA) | 17.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 382.2176 Da |
| Heavy Atoms | 27 |
| Complexity | 543.0 |
| SMILES | C1CC2C3=C(C1)C4=C(N3CCN2)C=CC(=C4)C56CC7CC(C5)CC(C7)C6.Cl |
| InChIKey | ZPMVHWNPNMNBAP-UHFFFAOYSA-N |
The XLogP value of 5.5115 indicates that 12-(adamantan-1-yl)-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10(15),11,13-tetraene hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.0 Ų, 12-(adamantan-1-yl)-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10(15),11,13-tetraene hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-(adamantan-1-yl)-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10(15),11,13-tetraene hydrochloride has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 12-(adamantan-1-yl)-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10(15),11,13-tetraene hydrochloride is 141681-99-4.
The molecular formula of 12-(adamantan-1-yl)-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10(15),11,13-tetraene hydrochloride is C24H31ClN2.
The molecular weight of 12-(adamantan-1-yl)-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10(15),11,13-tetraene hydrochloride is 382.2176 g/mol.
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