TL;DR: 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride (CAS 139084-81-4) is a chemical compound with molecular formula C16H23Cl3N2O3 and molecular weight 396.07742 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]oxolan-2-one;dihydrochloride
Also Known As: 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride, 5-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]oxolan-2-one dihydrochloride, 5-(4-Chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]oxolan-2-one--hydrogen chloride (1/2)
| Molecular Formula | C16H23Cl3N2O3 |
| Molecular Weight | 396.07742 g/mol |
| XLogP | 2.1501 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.07742 Da |
| Heavy Atoms | 24 |
| Complexity | 380.0 |
| SMILES | C1CN(CCN1CCO)C2CC(OC2=O)C3=CC=C(C=C3)Cl.Cl.Cl |
| InChIKey | IJXJORROZJVEMB-UHFFFAOYSA-N |
The XLogP value of 2.1501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride. With a topological polar surface area (TPSA) of 53.0 Ų, 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride is 139084-81-4.
The molecular formula of 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride is C16H23Cl3N2O3.
The molecular weight of 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride is 396.07742 g/mol.
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