TL;DR: (2E)-2-[1-(2,3,4-Trichlorophenyl)ethylidene]hydrazine-1-carboxamide (CAS 120445-98-9) is a chemical compound with molecular formula C9H8Cl3N3O and molecular weight 278.9733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-1-(2,3,4-trichlorophenyl)ethylideneamino]urea
Also Known As: [1-(2,3,4-trichlorophenyl)ethylideneamino]urea|N-[(1E)-2-(2,3,4-trichlorophenyl)-1-azaprop-1-enyl]aminoamide|(2E)-2-[1-(2,3,4-Trichlorophenyl)ethylidene]hydrazine-1-carboxamide|Hydrazinecarboxamide, 2-[1-(2,3,4-trichlorophenyl)ethylidene]-, (E)-|ST51032906
| Molecular Formula | C9H8Cl3N3O |
| Molecular Weight | 278.9733 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.9733 Da |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
| SMILES | C/C(=N\NC(=O)N)/C1=C(C(=C(C=C1)Cl)Cl)Cl |
| InChIKey | BRWUUXCEQCLTIJ-LNKIKWGQSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-[1-(2,3,4-Trichlorophenyl)ethylidene]hydrazine-1-carboxamide. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-[1-(2,3,4-Trichlorophenyl)ethylidene]hydrazine-1-carboxamide. Following Lipinski's Rule of Five, (2E)-2-[1-(2,3,4-Trichlorophenyl)ethylidene]hydrazine-1-carboxamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-2-[1-(2,3,4-Trichlorophenyl)ethylidene]hydrazine-1-carboxamide is 120445-98-9.
The molecular formula of (2E)-2-[1-(2,3,4-Trichlorophenyl)ethylidene]hydrazine-1-carboxamide is C9H8Cl3N3O.
The molecular weight of (2E)-2-[1-(2,3,4-Trichlorophenyl)ethylidene]hydrazine-1-carboxamide is 278.9733 g/mol.
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