TL;DR: 2-Propanol, 1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride (CAS 63716-12-1) is a chemical compound with molecular formula C21H30Cl2N2O4S and molecular weight 476.13034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
Also Known As: KST-1B6901, 1-(4-Ethylsulfonylphenoxy)-3-(4-phenylpiperazinyl)propan-2-ol dihydrochloride, 1-[4-(ethylsulfonyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride, 2-Propanol, 1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride, 1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride
| Molecular Formula | C21H30Cl2N2O4S |
| Molecular Weight | 476.13034 g/mol |
| XLogP | 2.89 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.13034 Da |
| Heavy Atoms | 30 |
| Complexity | 543.0 |
| SMILES | CCS(=O)(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl.Cl |
| InChIKey | OAZCRIJJSHBIQW-UHFFFAOYSA-N |
The XLogP value of 2.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanol, 1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride. Following Lipinski's Rule of Five, 2-Propanol, 1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propanol, 1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride is 63716-12-1.
The molecular formula of 2-Propanol, 1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride is C21H30Cl2N2O4S.
The molecular weight of 2-Propanol, 1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride is 476.13034 g/mol.
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