TL;DR: 5-Thiazoleacetic acid, 4-(4-fluorophenyl)-2-(2-(4-methoxyphenyl)ethenyl)- (CAS 116759-10-5) is a chemical compound with molecular formula C20H16FNO3S and molecular weight 369.0835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Also Known As: 4-(4-Fluorophenyl)-2-(2-(4-methoxyphenyl)ethenyl)-5-thiazoleacetic acid, 5-Thiazoleacetic acid, 4-(4-fluorophenyl)-2-(2-(4-methoxyphenyl)ethenyl)-, 2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
| Molecular Formula | C20H16FNO3S |
| Molecular Weight | 369.0835 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0835 Da |
| Heavy Atoms | 26 |
| Complexity | 487.0 |
| SMILES | COC1=CC=C(C=C1)/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)F |
| InChIKey | HNGYSXHJRHQWBB-NYYWCZLTSA-N |
The XLogP value of 5.3 indicates that 5-Thiazoleacetic acid, 4-(4-fluorophenyl)-2-(2-(4-methoxyphenyl)ethenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiazoleacetic acid, 4-(4-fluorophenyl)-2-(2-(4-methoxyphenyl)ethenyl)-. Following Lipinski's Rule of Five, 5-Thiazoleacetic acid, 4-(4-fluorophenyl)-2-(2-(4-methoxyphenyl)ethenyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Thiazoleacetic acid, 4-(4-fluorophenyl)-2-(2-(4-methoxyphenyl)ethenyl)- is 116759-10-5.
The molecular formula of 5-Thiazoleacetic acid, 4-(4-fluorophenyl)-2-(2-(4-methoxyphenyl)ethenyl)- is C20H16FNO3S.
The molecular weight of 5-Thiazoleacetic acid, 4-(4-fluorophenyl)-2-(2-(4-methoxyphenyl)ethenyl)- is 369.0835 g/mol.
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