TL;DR: (2E)-3-(4-methoxyphenyl)-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile (CAS 141736-04-1) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-methoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
Also Known As: AB01320644-02, (2E)-3-(4-methoxyphenyl)-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile, (E)-3-(4-methoxyphenyl)-2-(morpholine-4-carbonyl)acrylonitrile, (2E)-3-(4-methoxyphenyl)-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile, (E)-3-(4-methoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
| Molecular Formula | C15H16N2O3 |
| Molecular Weight | 272.1161 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.1161 Da |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
| SMILES | COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCOCC2 |
| InChIKey | BALDQACWJQTHBW-JLHYYAGUSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(4-methoxyphenyl)-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(4-methoxyphenyl)-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-(4-methoxyphenyl)-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile 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-(4-methoxyphenyl)-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile is 141736-04-1.
The molecular formula of (2E)-3-(4-methoxyphenyl)-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile is C15H16N2O3.
The molecular weight of (2E)-3-(4-methoxyphenyl)-2-[(E)-morpholine-4-carbonyl]prop-2-enenitrile is 272.1161 g/mol.
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