TL;DR: 2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (CAS 473884-58-1) is a chemical compound with molecular formula C18H14F2N2O3S and molecular weight 376.0693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
Also Known As: 2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide, (E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
| Molecular Formula | C18H14F2N2O3S |
| Molecular Weight | 376.0693 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.0693 Da |
| Heavy Atoms | 26 |
| Complexity | 556.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)SC(F)F)O |
| InChIKey | GUFNZVQWFQWJPG-XYOKQWHBSA-N |
The XLogP value of 4.7 indicates that 2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, 2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is 473884-58-1.
The molecular formula of 2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is C18H14F2N2O3S.
The molecular weight of 2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is 376.0693 g/mol.
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