TL;DR: Benzoic acid, 4,4'-(1-oxido-1,2-diazenediyl)bis-, 1,1'-diethyl ester (CAS 6421-04-1) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-ethoxycarbonylphenyl)-(4-ethoxycarbonylphenyl)imino-oxidoazanium
Also Known As: Diethyl azoxybenzene-4,4'-dicarboxylate, Diethyl azoxybenzoate, Diethyl 4,4'-azoxydibenzoate, Diethyl p,p'-azoxybenzoate, Diethyl 4,4'-azoxybenzoate
| Molecular Formula | C18H18N2O5 |
| Molecular Weight | 342.12158 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.12158 Da |
| Heavy Atoms | 25 |
| Complexity | 478.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)C(=O)OCC)[O-] |
| InChIKey | LOOVRYZFUGHEMF-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Benzoic acid, 4,4'-(1-oxido-1,2-diazenediyl)bis-, 1,1'-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4,4'-(1-oxido-1,2-diazenediyl)bis-, 1,1'-diethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4,4'-(1-oxido-1,2-diazenediyl)bis-, 1,1'-diethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzoic acid, 4,4'-(1-oxido-1,2-diazenediyl)bis-, 1,1'-diethyl ester is 6421-04-1.
The molecular formula of Benzoic acid, 4,4'-(1-oxido-1,2-diazenediyl)bis-, 1,1'-diethyl ester is C18H18N2O5.
The molecular weight of Benzoic acid, 4,4'-(1-oxido-1,2-diazenediyl)bis-, 1,1'-diethyl ester is 342.12158 g/mol.
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