TL;DR: 1H-Indol-1-amine, N-[(5-nitro-2-furanyl)methylene]- (CAS 113698-47-8) is a chemical compound with molecular formula C13H9N3O3 and molecular weight 255.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-indol-1-yl-1-(5-nitrofuran-2-yl)methanimine
Also Known As: 1H-Indol-1-amine, N-[(5-nitro-2-furanyl)methylene]-, N-indol-1-yl-1-(5-nitrofuran-2-yl)methanimine, 1H-Indol-1-amine,N-[(5-nitro-2-furanyl)methylene], N-(1H-Indol-1-yl)-1-(5-nitrofuran-2-yl)methanimine
| Molecular Formula | C13H9N3O3 |
| Molecular Weight | 255.06439 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.06439 Da |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
| SMILES | C1=CC=C2C(=C1)C=CN2N=CC3=CC=C(O3)[N+](=O)[O-] |
| InChIKey | ICHKAELODFMQPQ-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1H-Indol-1-amine, N-[(5-nitro-2-furanyl)methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indol-1-amine, N-[(5-nitro-2-furanyl)methylene]-. Following Lipinski's Rule of Five, 1H-Indol-1-amine, N-[(5-nitro-2-furanyl)methylene]- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Indol-1-amine, N-[(5-nitro-2-furanyl)methylene]- is 113698-47-8.
The molecular formula of 1H-Indol-1-amine, N-[(5-nitro-2-furanyl)methylene]- is C13H9N3O3.
The molecular weight of 1H-Indol-1-amine, N-[(5-nitro-2-furanyl)methylene]- is 255.06439 g/mol.
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