TL;DR: 2(3H)-Benzoxazolone, 6-benzoyl-5-chloro-3-((4-phenyl-1-piperidinyl)methyl)- (CAS 115967-05-0) is a chemical compound with molecular formula C26H23ClN2O3 and molecular weight 446.1397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-benzoyl-5-chloro-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 6-benzoyl-5-chloro-3-((4-phenyl-1-piperidinyl)methyl)-, 6-Benzoyl-5-chloro-3-((4-phenyl-1-piperidinyl)methyl)-2(3H)-benzoxazolone, 6-Benzoyl-5-chloro-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2(3H)-one, 6-benzoyl-5-chloro-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
| Molecular Formula | C26H23ClN2O3 |
| Molecular Weight | 446.1397 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.1397 Da |
| Heavy Atoms | 32 |
| Complexity | 668.0 |
| SMILES | C1CN(CCC1C2=CC=CC=C2)CN3C4=C(C=C(C(=C4)Cl)C(=O)C5=CC=CC=C5)OC3=O |
| InChIKey | OQKNADGTCJSDFD-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 2(3H)-Benzoxazolone, 6-benzoyl-5-chloro-3-((4-phenyl-1-piperidinyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 2(3H)-Benzoxazolone, 6-benzoyl-5-chloro-3-((4-phenyl-1-piperidinyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-benzoyl-5-chloro-3-((4-phenyl-1-piperidinyl)methyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2(3H)-Benzoxazolone, 6-benzoyl-5-chloro-3-((4-phenyl-1-piperidinyl)methyl)- is 115967-05-0.
The molecular formula of 2(3H)-Benzoxazolone, 6-benzoyl-5-chloro-3-((4-phenyl-1-piperidinyl)methyl)- is C26H23ClN2O3.
The molecular weight of 2(3H)-Benzoxazolone, 6-benzoyl-5-chloro-3-((4-phenyl-1-piperidinyl)methyl)- is 446.1397 g/mol.
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