TL;DR: 2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)- (CAS 122520-81-4) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
Also Known As: ST 494, 2-cyano-3-(4-hydroxyphenyl)prop-2-enamide, 2-cyano-3-(4-hydroxyphenyl)acrylamide, 2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)-, NCI60_000429
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.05858 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 Da |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=O)N)O |
| InChIKey | ILLYSIXRHPOKIQ-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)-. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)-. Following Lipinski's Rule of Five, 2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)- has 2 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 2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)- is 122520-81-4.
The molecular formula of 2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)- is C10H8N2O2.
The molecular weight of 2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)- is 188.05858 g/mol.
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