TL;DR: Ethanone, 1-(4-((4-(2,2-dimethyl-3-(1H-tetrazol-5-yl)propyl)phenoxy)methyl)-2-hydroxy-3-propylphenyl)- (CAS 123041-21-4) is a chemical compound with molecular formula C24H30N4O3 and molecular weight 422.23178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[[4-[2,2-dimethyl-3-(2H-tetrazol-5-yl)propyl]phenoxy]methyl]-2-hydroxy-3-propylphenyl]ethanone
Also Known As: Ethanone, 1-(4-((4-(2,2-dimethyl-3-(1H-tetrazol-5-yl)propyl)phenoxy)methyl)-2-hydroxy-3-propylphenyl)-, 1-[4-({4-[2,2-Dimethyl-3-(2H-tetrazol-5-yl)propyl]phenoxy}methyl)-2-hydroxy-3-propylphenyl]ethan-1-one, 1-[4-[[4-[2,2-dimethyl-3-(2H-tetrazol-5-yl)propyl]phenoxy]methyl]-2-hydroxy-3-propylphenyl]ethanone
| Molecular Formula | C24H30N4O3 |
| Molecular Weight | 422.23178 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 422.23178 Da |
| Heavy Atoms | 31 |
| Complexity | 565.0 |
| SMILES | CCCC1=C(C=CC(=C1O)C(=O)C)COC2=CC=C(C=C2)CC(C)(C)CC3=NNN=N3 |
| InChIKey | AFVDMHWXFJOGMP-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that Ethanone, 1-(4-((4-(2,2-dimethyl-3-(1H-tetrazol-5-yl)propyl)phenoxy)methyl)-2-hydroxy-3-propylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-((4-(2,2-dimethyl-3-(1H-tetrazol-5-yl)propyl)phenoxy)methyl)-2-hydroxy-3-propylphenyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(4-((4-(2,2-dimethyl-3-(1H-tetrazol-5-yl)propyl)phenoxy)methyl)-2-hydroxy-3-propylphenyl)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethanone, 1-(4-((4-(2,2-dimethyl-3-(1H-tetrazol-5-yl)propyl)phenoxy)methyl)-2-hydroxy-3-propylphenyl)- is 123041-21-4.
The molecular formula of Ethanone, 1-(4-((4-(2,2-dimethyl-3-(1H-tetrazol-5-yl)propyl)phenoxy)methyl)-2-hydroxy-3-propylphenyl)- is C24H30N4O3.
The molecular weight of Ethanone, 1-(4-((4-(2,2-dimethyl-3-(1H-tetrazol-5-yl)propyl)phenoxy)methyl)-2-hydroxy-3-propylphenyl)- is 422.23178 g/mol.
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