TL;DR: (Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enamide (CAS 444649-74-5) is a chemical compound with molecular formula C20H19BrN2O3 and molecular weight 414.05792 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
Also Known As: (Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enamide, 3-{3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl}-2-cyanoprop-2-enamide
| Molecular Formula | C20H19BrN2O3 |
| Molecular Weight | 414.05792 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.05792 Da |
| Heavy Atoms | 26 |
| Complexity | 557.0 |
| SMILES | CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)N)Br)OCC2=CC=CC(=C2)C |
| InChIKey | CTEDHMXTVQWYDQ-PXNMLYILSA-N |
The XLogP value of 4.0 indicates that (Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, (Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enamide has 1 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 (Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enamide is 444649-74-5.
The molecular formula of (Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enamide is C20H19BrN2O3.
The molecular weight of (Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enamide is 414.05792 g/mol.
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