TL;DR: 1-Benzhydryl-4-(2,3,4-trimethoxycinnamyl)piperazine dihydrochloride (CAS 104690-88-2) is a chemical compound with molecular formula C29H36Cl2N2O3 and molecular weight 530.2103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzhydryl-4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
Also Known As: 1-Benzhydryl-4-(2,3,4-trimethoxycinnamyl)piperazine dihydrochloride, Piperazine, 1-(diphenylmethyl)-4-(3-(2,3,4-trimethoxyphenyl)-2-propenyl)-, dihydrochloride, 1-(Diphenylmethyl)-4-(3-(2,3,4-trimethoxyphenyl)-2-propenyl)piperazine dihydrochloride, 1-benzhydryl-4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enyl]piperazine dihydrochloride
| Molecular Formula | C29H36Cl2N2O3 |
| Molecular Weight | 530.2103 g/mol |
| XLogP | 5.9764 |
| Topological Polar Surface Area (TPSA) | 34.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 530.2103 Da |
| Heavy Atoms | 36 |
| Complexity | 576.0 |
| SMILES | COC1=C(C(=C(C=C1)/C=C/CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC.Cl.Cl |
| InChIKey | YCYUKHYPIZACDT-OVWKBUNZSA-N |
The XLogP value of 5.9764 indicates that 1-Benzhydryl-4-(2,3,4-trimethoxycinnamyl)piperazine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.2 Ų, 1-Benzhydryl-4-(2,3,4-trimethoxycinnamyl)piperazine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzhydryl-4-(2,3,4-trimethoxycinnamyl)piperazine dihydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Benzhydryl-4-(2,3,4-trimethoxycinnamyl)piperazine dihydrochloride is 104690-88-2.
The molecular formula of 1-Benzhydryl-4-(2,3,4-trimethoxycinnamyl)piperazine dihydrochloride is C29H36Cl2N2O3.
The molecular weight of 1-Benzhydryl-4-(2,3,4-trimethoxycinnamyl)piperazine dihydrochloride is 530.2103 g/mol.
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