TL;DR: 2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, (E,E)- (CAS 15542-60-6) is a chemical compound with molecular formula C12H11ClO2 and molecular weight 222.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)hexa-2,4-dienoic acid
Also Known As: 5-(4-chlorophenyl)hexa-2,4-dienoic acid, 2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, (E,E)-, 2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, 2,4-Hexadienoic acid,5-(4-chlorophenyl)-,(E,E)
| Molecular Formula | C12H11ClO2 |
| Molecular Weight | 222.04475 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.04475 Da |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
| SMILES | CC(=CC=CC(=O)O)C1=CC=C(C=C1)Cl |
| InChIKey | DUNNXJVNDJETSJ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, (E,E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, (E,E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, (E,E)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, (E,E)- is 15542-60-6.
The molecular formula of 2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, (E,E)- is C12H11ClO2.
The molecular weight of 2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, (E,E)- is 222.04475 g/mol.
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