TL;DR: Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)- (CAS 6657-32-5) is a chemical compound with molecular formula C17H17N5O3 and molecular weight 339.13315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile
Also Known As: DISPERSE ORANGE A, HY-D0453, Propanenitrile, 3-[(2-hydroxyethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]-, 3-[(2-hydroxyethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile, 3-[ [4-[ azo]phenyl]amino]propiononitrile
| Molecular Formula | C17H17N5O3 |
| Molecular Weight | 339.13315 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.13315 Da |
| Heavy Atoms | 25 |
| Complexity | 482.0 |
| SMILES | C1=CC(=CC=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N(CCC#N)CCO |
| InChIKey | OGHAROMWUKGSDP-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)-. Following Lipinski's Rule of Five, Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)- is 6657-32-5.
The molecular formula of Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)- is C17H17N5O3.
The molecular weight of Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)- is 339.13315 g/mol.
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