TL;DR: 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,R*)- (CAS 132634-43-6) is a chemical compound with molecular formula C22H23ClF3N3O3 and molecular weight 469.138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-6-[(1R,2R)-1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3-methyl-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,R*)-, 5-chloro-6-[(1R,2R)-1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3-methyl-1,3-benzoxazol-2-one, 5-Chloro-6-[(1R,2R)-1-hydroxy-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl]-3-methyl-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C22H23ClF3N3O3 |
| Molecular Weight | 469.138 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 56.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.138 Da |
| Heavy Atoms | 32 |
| Complexity | 677.0 |
| SMILES | C[C@H]([C@@H](C1=CC2=C(C=C1Cl)N(C(=O)O2)C)O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F |
| InChIKey | NFQCDUAISRSOKW-XCLFUZPHSA-N |
The XLogP value of 4.0 indicates that 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,R*)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.3 Ų, 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,R*)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,R*)- has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,R*)- is 132634-43-6.
The molecular formula of 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,R*)- is C22H23ClF3N3O3.
The molecular weight of 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,R*)- is 469.138 g/mol.
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