TL;DR: 1-(4-Methylpiperazin-1-yl)propan-2-yl 3,4-dimethoxybenzoate hydrochloride (CAS 1052536-37-4) is a chemical compound with molecular formula C17H27ClN2O4 and molecular weight 358.16592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylpiperazin-1-yl)propan-2-yl 3,4-dimethoxybenzoate;hydrochloride
Also Known As: 1-(4-methylpiperazin-1-yl)propan-2-yl 3,4-dimethoxybenzoate hydrochloride
| Molecular Formula | C17H27ClN2O4 |
| Molecular Weight | 358.16592 g/mol |
| XLogP | 1.9183 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.16592 Da |
| Heavy Atoms | 24 |
| Complexity | 372.0 |
| SMILES | CC(CN1CCN(CC1)C)OC(=O)C2=CC(=C(C=C2)OC)OC.Cl |
| InChIKey | SIOVCTQKTSLGPZ-UHFFFAOYSA-N |
The XLogP value of 1.9183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylpiperazin-1-yl)propan-2-yl 3,4-dimethoxybenzoate hydrochloride. With a topological polar surface area (TPSA) of 51.2 Ų, 1-(4-Methylpiperazin-1-yl)propan-2-yl 3,4-dimethoxybenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylpiperazin-1-yl)propan-2-yl 3,4-dimethoxybenzoate hydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Methylpiperazin-1-yl)propan-2-yl 3,4-dimethoxybenzoate hydrochloride is 1052536-37-4.
The molecular formula of 1-(4-Methylpiperazin-1-yl)propan-2-yl 3,4-dimethoxybenzoate hydrochloride is C17H27ClN2O4.
The molecular weight of 1-(4-Methylpiperazin-1-yl)propan-2-yl 3,4-dimethoxybenzoate hydrochloride is 358.16592 g/mol.
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