TL;DR: Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylamino)-2-oxoethyl ester (CAS 731838-16-7) is a chemical compound with molecular formula C18H20N4O3 and molecular weight 340.15353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(methylamino)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
Also Known As: Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylamino)-2-oxoethyl ester, [2-(methylamino)-2-oxoethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate
| Molecular Formula | C18H20N4O3 |
| Molecular Weight | 340.15353 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.15353 Da |
| Heavy Atoms | 25 |
| Complexity | 473.0 |
| SMILES | CNC(=O)COC(=O)C1=CC=CC=C1N=NC2=CC=C(C=C2)N(C)C |
| InChIKey | PNILDLSROAAXNW-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylamino)-2-oxoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylamino)-2-oxoethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylamino)-2-oxoethyl ester has 1 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, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylamino)-2-oxoethyl ester is 731838-16-7.
The molecular formula of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylamino)-2-oxoethyl ester is C18H20N4O3.
The molecular weight of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylamino)-2-oxoethyl ester is 340.15353 g/mol.
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