TL;DR: 2-Furanmethanamine, N,N-dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)- (CAS 142744-13-6) is a chemical compound with molecular formula C16H20N4O5S and molecular weight 380.11545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2,4-dinitroaniline
Also Known As: 2-Furanmethanamine, N,N-dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)-, 2-Hydroxymethyl-2-propyl-propan-1,3-diol-triacetat, N,N-Dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)-2-furanmethanamine, 2-Furanmethanamine, 5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)-N,N-dimethyl-, 2-Furanmethanamine,5-[[[2-[(2,4-dinitrophenyl)amino]ethyl]thio]methyl]-N,N-dimethyl-
| Molecular Formula | C16H20N4O5S |
| Molecular Weight | 380.11545 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.11545 Da |
| Heavy Atoms | 26 |
| Complexity | 471.0 |
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GWLYGKHENDIOMW-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-Furanmethanamine, N,N-dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting 2-Furanmethanamine, N,N-dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Furanmethanamine, N,N-dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)- has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Furanmethanamine, N,N-dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)- is 142744-13-6.
The molecular formula of 2-Furanmethanamine, N,N-dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)- is C16H20N4O5S.
The molecular weight of 2-Furanmethanamine, N,N-dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)- is 380.11545 g/mol.
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