TL;DR: 3-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propoxyimino)-2,3-dihydro-1H-benz(e)indene HCl (CAS 157596-38-8) is a chemical compound with molecular formula C26H29Cl2N3O and molecular weight 469.16876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride
Also Known As: 3-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propoxyimino)-2,3-dihydro-1H-benz(e)indene HCl, 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)oxime, monohydrochloride, N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-1,2-dihydrocyclopenta[a]naphthalen-3-imine hydrochloride
| Molecular Formula | C26H29Cl2N3O |
| Molecular Weight | 469.16876 g/mol |
| XLogP | 5.7942 |
| Topological Polar Surface Area (TPSA) | 28.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.16876 Da |
| Heavy Atoms | 32 |
| Complexity | 605.0 |
| SMILES | C1C/C(=N/OCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)/C4=C1C5=CC=CC=C5C=C4.Cl |
| InChIKey | VMNZZIAQIMOGGS-QVLVYXDLSA-N |
The XLogP value of 5.7942 indicates that 3-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propoxyimino)-2,3-dihydro-1H-benz(e)indene HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.1 Ų, 3-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propoxyimino)-2,3-dihydro-1H-benz(e)indene HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propoxyimino)-2,3-dihydro-1H-benz(e)indene HCl has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propoxyimino)-2,3-dihydro-1H-benz(e)indene HCl is 157596-38-8.
The molecular formula of 3-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propoxyimino)-2,3-dihydro-1H-benz(e)indene HCl is C26H29Cl2N3O.
The molecular weight of 3-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propoxyimino)-2,3-dihydro-1H-benz(e)indene HCl is 469.16876 g/mol.
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