TL;DR: 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-phenyl- (CAS 116759-14-9) is a chemical compound with molecular formula C21H19NO4S and molecular weight 381.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
Also Known As: 2-(2-(3,4-Dimethoxyphenyl)ethenyl)-4-phenyl-5-thiazoleacetic acid, 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-phenyl-, 2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
| Molecular Formula | C21H19NO4S |
| Molecular Weight | 381.1035 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.1035 Da |
| Heavy Atoms | 27 |
| Complexity | 508.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=CC=C3)OC |
| InChIKey | ORUILTIMKGCFCE-PKNBQFBNSA-N |
The XLogP value of 4.4 indicates that 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-phenyl-. Following Lipinski's Rule of Five, 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-phenyl- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-phenyl- is 116759-14-9.
The molecular formula of 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-phenyl- is C21H19NO4S.
The molecular weight of 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-phenyl- is 381.1035 g/mol.
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