TL;DR: 2-Propanone, (5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)hydrazone (CAS 142744-26-1) is a chemical compound with molecular formula C19H26N6O5S and molecular weight 450.16855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(propan-2-ylideneamino)benzene-1,3-diamine
Also Known As: 2-Propanone, (5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)hydrazone, N-{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-2,4-dinitro-5-[2-(propan-2-ylidene)hydrazin-1-yl]aniline, [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-[5-(N''-isopropylidene-hydrazino)-2,4-dinitro-phenyl]-amine, 1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(propan-2-ylideneamino)benzene-1,3-diamine, N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N -[(1-methylethylidene)amino]benzene-1,5-diamine
| Molecular Formula | C19H26N6O5S |
| Molecular Weight | 450.16855 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 450.16855 Da |
| Heavy Atoms | 31 |
| Complexity | 622.0 |
| SMILES | CC(=NNC1=C(C=C(C(=C1)NCCSCC2=CC=C(O2)CN(C)C)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | FXEKYXNHJDVDPK-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2-Propanone, (5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)hydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting 2-Propanone, (5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)hydrazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Propanone, (5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)hydrazone has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propanone, (5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)hydrazone is 142744-26-1.
The molecular formula of 2-Propanone, (5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)hydrazone is C19H26N6O5S.
The molecular weight of 2-Propanone, (5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)hydrazone is 450.16855 g/mol.
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