TL;DR: Propanedinitrile, [(5-nitro-2-furanyl)(phenylamino)methylene]- (CAS 143560-36-5) is a chemical compound with molecular formula C14H8N4O3 and molecular weight 280.05963 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[anilino-(5-nitrofuran-2-yl)methylidene]propanedinitrile
Also Known As: Propanedinitrile, [(5-nitro-2-furanyl)(phenylamino)methylene]-, 2-[anilino-(5-nitrofuran-2-yl)methylidene]propanedinitrile, [Anilino(5-nitrofuran-2-yl)methylidene]propanedinitrile, 2-[anilino-(5-nitro-2-furyl)methylidene]propanedinitrile, [(5-nitro(2-furyl))(phenylamino)methylene]methane-1,1-dicarbonitrile
| Molecular Formula | C14H8N4O3 |
| Molecular Weight | 280.05963 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.05963 Da |
| Heavy Atoms | 21 |
| Complexity | 509.0 |
| SMILES | C1=CC=C(C=C1)NC(=C(C#N)C#N)C2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | YQACGRUFELWJSG-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Propanedinitrile, [(5-nitro-2-furanyl)(phenylamino)methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, [(5-nitro-2-furanyl)(phenylamino)methylene]-. Following Lipinski's Rule of Five, Propanedinitrile, [(5-nitro-2-furanyl)(phenylamino)methylene]- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanedinitrile, [(5-nitro-2-furanyl)(phenylamino)methylene]- is 143560-36-5.
The molecular formula of Propanedinitrile, [(5-nitro-2-furanyl)(phenylamino)methylene]- is C14H8N4O3.
The molecular weight of Propanedinitrile, [(5-nitro-2-furanyl)(phenylamino)methylene]- is 280.05963 g/mol.
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