TL;DR: 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)- (CAS 116758-92-0) is a chemical compound with molecular formula C19H13BrClNO2S and molecular weight 432.9539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-bromophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Also Known As: 4-(4-Bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)-5-thiazoleacetic acid, 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)-, 2-[4-(4-bromophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
| Molecular Formula | C19H13BrClNO2S |
| Molecular Weight | 432.9539 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.9539 Da |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
| SMILES | C1=CC(=CC=C1/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Br)Cl |
| InChIKey | SLVHFJZXXLSDTB-XCVCLJGOSA-N |
The XLogP value of 6.5 indicates that 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)-. Following Lipinski's Rule of Five, 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)- is 116758-92-0.
The molecular formula of 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)- is C19H13BrClNO2S.
The molecular weight of 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)- is 432.9539 g/mol.
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