TL;DR: Dac 5945 (CAS 124065-13-0) is a chemical compound with molecular formula C19H30ClN3O and molecular weight 351.20773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclohexyl-2-(4-methanimidoylpiperazin-1-yl)-1-phenylethanol;hydrochloride
Also Known As: Dac 5945, N-Iminomethyl-N'-((2-hydroxy-2-phenyl-2-cyclohexyl)ethyl)piperazine hcl, 1-Piperazineethanol, alpha-cyclohexyl-4-(iminomethyl)-alpha-phenyl-, monohydrochloride, 1-cyclohexyl-2-(4-methanimidoylpiperazin-1-yl)-1-phenylethanol;hydrochloride, 1-cyclohexyl-2-(4-methanimidoylpiperazin-1-yl)-1-phenylethanol hydrochloride
| Molecular Formula | C19H30ClN3O |
| Molecular Weight | 351.20773 g/mol |
| XLogP | 3.10097 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.20773 Da |
| Heavy Atoms | 24 |
| Complexity | 369.0 |
| SMILES | C1CCC(CC1)C(CN2CCN(CC2)C=N)(C3=CC=CC=C3)O.Cl |
| InChIKey | ABECNUXOXSXJCR-UHFFFAOYSA-N |
The XLogP value of 3.10097 indicates that Dac 5945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Dac 5945 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dac 5945 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dac 5945 is 124065-13-0.
The molecular formula of Dac 5945 is C19H30ClN3O.
The molecular weight of Dac 5945 is 351.20773 g/mol.
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