TL;DR: Ethanol, 2,2'-[[4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-, 1,1'-diacetate (CAS 66214-54-8) is a chemical compound with molecular formula C20H22N4O6 and molecular weight 414.15393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[N-(2-acetyloxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
Also Known As: 2,2'-((4-((4-Nitrophenyl)azo)phenyl)imino)bisethyl diacetate, Aniline, 4-(4-nitrophenylazo)-N,N-di-beta-acetoxyethyl-, 2-[4-(2-methylbutan-2-yl)benzoyl]benzoic acid, 2,2'-[[4-[(4-Nitrophenyl)azo]phenyl]imino]bisethyl diacetate, Ethanol, 2,2'-[[4-[(4-nitrophenyl)azo]phenyl]imino]bis-, diacetate (ester)
| Molecular Formula | C20H22N4O6 |
| Molecular Weight | 414.15393 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 414.15393 Da |
| Heavy Atoms | 30 |
| Complexity | 573.0 |
| SMILES | CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MOZMAXZPHVWRTA-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Ethanol, 2,2'-[[4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-, 1,1'-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2,2'-[[4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-, 1,1'-diacetate. Following Lipinski's Rule of Five, Ethanol, 2,2'-[[4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-, 1,1'-diacetate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanol, 2,2'-[[4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-, 1,1'-diacetate is 66214-54-8.
The molecular formula of Ethanol, 2,2'-[[4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-, 1,1'-diacetate is C20H22N4O6.
The molecular weight of Ethanol, 2,2'-[[4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-, 1,1'-diacetate is 414.15393 g/mol.
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