TL;DR: 3-(4-Methoxyphenyl)-1-(2-thienyl)-2-propen-1-one (CAS 137444-51-0) is a chemical compound with molecular formula C14H12O2S and molecular weight 244.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-methoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
Also Known As: 3-(4-methoxyphenyl)-1-(2-thienyl)-2-propen-1-one, (E)-3-(4-methoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one, (2E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one, AN-462/40397697, 1-
| Molecular Formula | C14H12O2S |
| Molecular Weight | 244.0558 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0558 Da |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CS2 |
| InChIKey | VMWUXSVSQGMOLS-RMKNXTFCSA-N |
The XLogP value of 3.7 indicates that 3-(4-Methoxyphenyl)-1-(2-thienyl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 3-(4-Methoxyphenyl)-1-(2-thienyl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-1-(2-thienyl)-2-propen-1-one 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 3-(4-Methoxyphenyl)-1-(2-thienyl)-2-propen-1-one is 137444-51-0.
The molecular formula of 3-(4-Methoxyphenyl)-1-(2-thienyl)-2-propen-1-one is C14H12O2S.
The molecular weight of 3-(4-Methoxyphenyl)-1-(2-thienyl)-2-propen-1-one is 244.0558 g/mol.
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