TL;DR: RefChem:265760 (CAS 63716-09-6) is a chemical compound with molecular formula C24H34Cl2N2O3 and molecular weight 468.19464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one;dihydrochloride
Also Known As: KST-1B6899, 2-Propanol, 1-(4-(3,4-dimethylphenyl)piperazinyl)-3-(2-propionylphenoxy)-, dihydrochloride, Propiophenone, 2'-(2-hydroxy-3-(3,4-xylyl-1-piperazinyl)propoxy)-, dihydrochloride, 1-(2-{3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)propan-1-one dihydrochloride, 1-(2-{3-[4-(3,4-Dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)propan-1-one--hydrogen chloride (1/2)
| Molecular Formula | C24H34Cl2N2O3 |
| Molecular Weight | 468.19464 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.19464 Da |
| Heavy Atoms | 31 |
| Complexity | 506.0 |
| SMILES | CCC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC(=C(C=C3)C)C)O.Cl.Cl |
| InChIKey | MWXMWHAEFXOXRF-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that RefChem:265760 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, RefChem:265760 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:265760 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 RefChem:265760 is 63716-09-6.
The molecular formula of RefChem:265760 is C24H34Cl2N2O3.
The molecular weight of RefChem:265760 is 468.19464 g/mol.
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