TL;DR: 4-[3-(3,4-Dichlorophenyl)prop-2-enoyl]piperazine-1-carbaldehyde (CAS 1025311-59-4) is a chemical compound with molecular formula C14H14Cl2N2O2 and molecular weight 312.04324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(3,4-dichlorophenyl)prop-2-enoyl]piperazine-1-carbaldehyde
Also Known As: 4-[3-(3,4-dichlorophenyl)prop-2-enoyl]piperazine-1-carbaldehyde, 4-(3-(3,4-DICHLOROPHENYL)PROP-2-ENOYL)PIPERAZINECARBALDEHYDE
| Molecular Formula | C14H14Cl2N2O2 |
| Molecular Weight | 312.04324 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.04324 Da |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
| SMILES | C1CN(CCN1C=O)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | RGOHUWBULZWEDZ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(3,4-Dichlorophenyl)prop-2-enoyl]piperazine-1-carbaldehyde. With a topological polar surface area (TPSA) of 40.6 Ų, 4-[3-(3,4-Dichlorophenyl)prop-2-enoyl]piperazine-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(3,4-Dichlorophenyl)prop-2-enoyl]piperazine-1-carbaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[3-(3,4-Dichlorophenyl)prop-2-enoyl]piperazine-1-carbaldehyde is 1025311-59-4.
The molecular formula of 4-[3-(3,4-Dichlorophenyl)prop-2-enoyl]piperazine-1-carbaldehyde is C14H14Cl2N2O2.
The molecular weight of 4-[3-(3,4-Dichlorophenyl)prop-2-enoyl]piperazine-1-carbaldehyde is 312.04324 g/mol.
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