TL;DR: Methanone, [4-[[4-(2-benzoxazolyl)phenyl]methoxy]-2-hydroxyphenyl]phenyl- (CAS 52981-88-1) is a chemical compound with molecular formula C27H19NO4 and molecular weight 421.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2-hydroxyphenyl]-phenylmethanone
Also Known As: 2-(alpha-(4-Benzoyl-3-hydroxyphenoxy)-p-tolyl)benzoxazole, Methanone, [4-[[4-(2-benzoxazolyl)phenyl]methoxy]-2-hydroxyphenyl]phenyl-, 2-(, A-(4-benzoyl-3-hydroxyphenoxy)-p-tolyl)benzoxazole, [4-[[4- phenyl]methoxy]-2-hydroxyphenyl]phenylmethanone
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C27H19NO4 |
| Molecular Weight | 421.1314 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.1314 Da |
| Heavy Atoms | 32 |
| Complexity | 613.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)O |
| InChIKey | ZKDCTCNNNKEFDY-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that Methanone, [4-[[4-(2-benzoxazolyl)phenyl]methoxy]-2-hydroxyphenyl]phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, [4-[[4-(2-benzoxazolyl)phenyl]methoxy]-2-hydroxyphenyl]phenyl-. Following Lipinski's Rule of Five, Methanone, [4-[[4-(2-benzoxazolyl)phenyl]methoxy]-2-hydroxyphenyl]phenyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Methanone, [4-[[4-(2-benzoxazolyl)phenyl]methoxy]-2-hydroxyphenyl]phenyl- is 52981-88-1.
The molecular formula of Methanone, [4-[[4-(2-benzoxazolyl)phenyl]methoxy]-2-hydroxyphenyl]phenyl- is C27H19NO4.
The molecular weight of Methanone, [4-[[4-(2-benzoxazolyl)phenyl]methoxy]-2-hydroxyphenyl]phenyl- is 421.1314 g/mol.
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