TL;DR: 2(3H)-Benzoxazolone, 5-chloro-6-(2-chlorobenzoyl)-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- (CAS 115967-01-6) is a chemical compound with molecular formula C26H22Cl2N2O4 and molecular weight 496.09567 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-6-(2-chlorobenzoyl)-3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 5-chloro-6-(2-chlorobenzoyl)-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)-, 5-Chloro-6-(2-chlorobenzoyl)-3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2(3H)-one, 5-chloro-6-(2-chlorobenzoyl)-3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
| Molecular Formula | C26H22Cl2N2O4 |
| Molecular Weight | 496.09567 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.09567 Da |
| Heavy Atoms | 34 |
| Complexity | 753.0 |
| SMILES | C1CN(CCC1(C2=CC=CC=C2)O)CN3C4=C(C=C(C(=C4)Cl)C(=O)C5=CC=CC=C5Cl)OC3=O |
| InChIKey | BPTVZIMBAZGGPT-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 2(3H)-Benzoxazolone, 5-chloro-6-(2-chlorobenzoyl)-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolone, 5-chloro-6-(2-chlorobenzoyl)-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 5-chloro-6-(2-chlorobenzoyl)-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2(3H)-Benzoxazolone, 5-chloro-6-(2-chlorobenzoyl)-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- is 115967-01-6.
The molecular formula of 2(3H)-Benzoxazolone, 5-chloro-6-(2-chlorobenzoyl)-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- is C26H22Cl2N2O4.
The molecular weight of 2(3H)-Benzoxazolone, 5-chloro-6-(2-chlorobenzoyl)-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- is 496.09567 g/mol.
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