TL;DR: 2,5-Cyclohexadien-1-one, 4-((p-acetylphenyl)imino)-2,6-dichloro- (CAS 101564-11-8) is a chemical compound with molecular formula C14H9Cl2NO2 and molecular weight 293.00104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-acetylphenyl)imino-2,6-dichlorocyclohexa-2,5-dien-1-one
Also Known As: 2,5-Cyclohexadien-1-one, 4-((p-acetylphenyl)imino)-2,6-dichloro-, 4-((p-Acetylphenyl)imino)-2,6-dichloro-2,5-cyclohexadien-1-one, 4-(4-acetylphenyl)imino-2,6-dichlorocyclohexa-2,5-dien-1-one, 4-[(p-Acetylphenyl)imino]-2,6-dichloro-2,5-cyclohexadien-1-one, 4-[(4-ACETYLPHENYL)IMINO]-2,6-DICHLOROCYCLOHEXA-2,5-DIEN-1-ONE
| Molecular Formula | C14H9Cl2NO2 |
| Molecular Weight | 293.00104 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.00104 Da |
| Heavy Atoms | 19 |
| Complexity | 474.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)N=C2C=C(C(=O)C(=C2)Cl)Cl |
| InChIKey | ZMKDHOBBPFBRLO-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2,5-Cyclohexadien-1-one, 4-((p-acetylphenyl)imino)-2,6-dichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2,5-Cyclohexadien-1-one, 4-((p-acetylphenyl)imino)-2,6-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 4-((p-acetylphenyl)imino)-2,6-dichloro- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,5-Cyclohexadien-1-one, 4-((p-acetylphenyl)imino)-2,6-dichloro- is 101564-11-8.
The molecular formula of 2,5-Cyclohexadien-1-one, 4-((p-acetylphenyl)imino)-2,6-dichloro- is C14H9Cl2NO2.
The molecular weight of 2,5-Cyclohexadien-1-one, 4-((p-acetylphenyl)imino)-2,6-dichloro- is 293.00104 g/mol.
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