TL;DR: (E)-3-(5-(4-chlorophenyl)furan-2-yl)-2-(morpholine-4-carbonyl)acrylonitrile (CAS 327099-45-6) is a chemical compound with molecular formula C18H15ClN2O3 and molecular weight 342.07712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
Also Known As: (E)-3-(5-(4-chlorophenyl)furan-2-yl)-2-(morpholine-4-carbonyl)acrylonitrile, (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
| Molecular Formula | C18H15ClN2O3 |
| Molecular Weight | 342.07712 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.07712 Da |
| Heavy Atoms | 24 |
| Complexity | 528.0 |
| SMILES | C1COCCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl)/C#N |
| InChIKey | OEEQCFQVGXCLIL-SDNWHVSQSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(5-(4-chlorophenyl)furan-2-yl)-2-(morpholine-4-carbonyl)acrylonitrile. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(5-(4-chlorophenyl)furan-2-yl)-2-(morpholine-4-carbonyl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-(5-(4-chlorophenyl)furan-2-yl)-2-(morpholine-4-carbonyl)acrylonitrile 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 (E)-3-(5-(4-chlorophenyl)furan-2-yl)-2-(morpholine-4-carbonyl)acrylonitrile is 327099-45-6.
The molecular formula of (E)-3-(5-(4-chlorophenyl)furan-2-yl)-2-(morpholine-4-carbonyl)acrylonitrile is C18H15ClN2O3.
The molecular weight of (E)-3-(5-(4-chlorophenyl)furan-2-yl)-2-(morpholine-4-carbonyl)acrylonitrile is 342.07712 g/mol.
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