TL;DR: 2-Amino-3-[(4-hydroxy-3,5-diiodo-phenyl)methyleneamino]but-2-enedinitrile (CAS 1048915-11-2) is a chemical compound with molecular formula C11H6I2N4O and molecular weight 463.8631 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]but-2-enedinitrile
Also Known As: 2-amino-3-[(4-hydroxy-3,5-diiodo-phenyl)methyleneamino]but-2-enedinitrile, (Z)-2-amino-3-{[(E)-(4-hydroxy-3,5-diiodophenyl)methylidene]amino}-2-butenedinitrile, 2-Amino-1-(1-aza-2-(4-hydroxy-3,5-diiodophenyl)vinyl)ethene-1,2-dicarbonitrile, 2-amino-3-[(3,5-diiodo-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]but-2-enedinitrile, 2-amino-3-[(3,5-diiodo-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]but-2-enedinitrile
| Molecular Formula | C11H6I2N4O |
| Molecular Weight | 463.8631 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 463.8631 Da |
| Heavy Atoms | 18 |
| Complexity | 458.0 |
| SMILES | C1=C(C=C(C(=C1I)O)I)C=NC(=C(C#N)N)C#N |
| InChIKey | HTBQGSSVCJRUJH-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-[(4-hydroxy-3,5-diiodo-phenyl)methyleneamino]but-2-enedinitrile. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-[(4-hydroxy-3,5-diiodo-phenyl)methyleneamino]but-2-enedinitrile. Following Lipinski's Rule of Five, 2-Amino-3-[(4-hydroxy-3,5-diiodo-phenyl)methyleneamino]but-2-enedinitrile has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Amino-3-[(4-hydroxy-3,5-diiodo-phenyl)methyleneamino]but-2-enedinitrile is 1048915-11-2.
The molecular formula of 2-Amino-3-[(4-hydroxy-3,5-diiodo-phenyl)methyleneamino]but-2-enedinitrile is C11H6I2N4O.
The molecular weight of 2-Amino-3-[(4-hydroxy-3,5-diiodo-phenyl)methyleneamino]but-2-enedinitrile is 463.8631 g/mol.
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