TL;DR: (2E)-3-(2,5-Dimethoxyphenyl)-1-(2-thienyl)prop-2-EN-1-one (CAS 1334721-85-5) is a chemical compound with molecular formula C15H14O3S and molecular weight 274.06638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2,5-dimethoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
Also Known As: CHEMBRDG-BB5914626, AB00100633-01, (2E)-3-(2,5-DIMETHOXYPHENYL)-1-(2-THIENYL)PROP-2-EN-1-ONE, (2E)-3-(2,5-Dimethoxyphenyl)-1-(2-thienyl)-2-propen-1-one, (E)-3-(2,5-dimethoxyphenyl)-1-(2-thienyl)prop-2-en-1-one
| Molecular Formula | C15H14O3S |
| Molecular Weight | 274.06638 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 63.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.06638 Da |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
| SMILES | COC1=CC(=C(C=C1)OC)/C=C/C(=O)C2=CC=CS2 |
| InChIKey | BHIDTVASTJJROF-FNORWQNLSA-N |
The XLogP value of 3.6 indicates that (2E)-3-(2,5-Dimethoxyphenyl)-1-(2-thienyl)prop-2-EN-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(2,5-Dimethoxyphenyl)-1-(2-thienyl)prop-2-EN-1-one. Following Lipinski's Rule of Five, (2E)-3-(2,5-Dimethoxyphenyl)-1-(2-thienyl)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)-3-(2,5-Dimethoxyphenyl)-1-(2-thienyl)prop-2-EN-1-one is 1334721-85-5.
The molecular formula of (2E)-3-(2,5-Dimethoxyphenyl)-1-(2-thienyl)prop-2-EN-1-one is C15H14O3S.
The molecular weight of (2E)-3-(2,5-Dimethoxyphenyl)-1-(2-thienyl)prop-2-EN-1-one is 274.06638 g/mol.
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