TL;DR: (2E)-1-(2-Chlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (CAS 1068507-61-8) is a chemical compound with molecular formula C18H17ClO4 and molecular weight 332.08154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(2-chlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
Also Known As: (2E)-1-(2-Chlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one, (E)-1-(2-chlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
| Molecular Formula | C18H17ClO4 |
| Molecular Weight | 332.08154 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.08154 Da |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
| SMILES | COC1=C(C(=C(C=C1)/C=C/C(=O)C2=CC=CC=C2Cl)OC)OC |
| InChIKey | ZDCORLPYMAOIOZ-CSKARUKUSA-N |
The XLogP value of 4.2 indicates that (2E)-1-(2-Chlorophenyl)-3-(2,3,4-trimethoxyphenyl)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 44.8 Ų, (2E)-1-(2-Chlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(2-Chlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-1-(2-Chlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is 1068507-61-8.
The molecular formula of (2E)-1-(2-Chlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is C18H17ClO4.
The molecular weight of (2E)-1-(2-Chlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is 332.08154 g/mol.
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