TL;DR: Acetic acid, [4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenoxy]-, ethyl ester (CAS 141355-87-5) is a chemical compound with molecular formula C19H17ClN2O3 and molecular weight 356.09277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]acetate
Also Known As: Acetic acid, [4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenoxy]-, ethyl ester, ethyl 2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]acetate, ethyl [4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenoxy]acetate, Acetic acid,[4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenoxy]-,ethyl ester
| Molecular Formula | C19H17ClN2O3 |
| Molecular Weight | 356.09277 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.09277 Da |
| Heavy Atoms | 25 |
| Complexity | 431.0 |
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)Cl)C2=CC=NN2C3=CC=CC=C3 |
| InChIKey | WAMQILFYMUWSAZ-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Acetic acid, [4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenoxy]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, Acetic acid, [4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenoxy]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, [4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenoxy]-, ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, [4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenoxy]-, ethyl ester is 141355-87-5.
The molecular formula of Acetic acid, [4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenoxy]-, ethyl ester is C19H17ClN2O3.
The molecular weight of Acetic acid, [4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenoxy]-, ethyl ester is 356.09277 g/mol.
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