TL;DR: (2E)-1-(4-Chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one (CAS 1440663-37-5) is a chemical compound with molecular formula C14H11ClOS and molecular weight 262.0219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
Also Known As: (2E)-1-(4-Chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one, AB00709274-01, (E)-1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one, (E)-1-(4-chlorophenyl)-3-(5-methyl-2-thienyl)prop-2-en-1-one
| Molecular Formula | C14H11ClOS |
| Molecular Weight | 262.0219 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0219 Da |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
| SMILES | CC1=CC=C(S1)/C=C/C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | ONXSLLPEVNXUEI-CMDGGOBGSA-N |
The XLogP value of 4.4 indicates that (2E)-1-(4-Chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, (2E)-1-(4-Chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(4-Chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one has 0 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 (2E)-1-(4-Chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one is 1440663-37-5.
The molecular formula of (2E)-1-(4-Chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one is C14H11ClOS.
The molecular weight of (2E)-1-(4-Chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one is 262.0219 g/mol.
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