TL;DR: 1,4-Benzenedicarboxylic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)- (CAS 52716-31-1) is a chemical compound with molecular formula C19H19NO6 and molecular weight 357.12125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
Also Known As: 2-(4-Diethylamino-2-hydroxybenzoyl)terephthalic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid, 2-(4-Diethylamino-2-hydroxybenzoyl)-1,4-benzenedicarboxylic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]benzene-1,4-dicarboxylic acid, 1,4-Benzenedicarboxylic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)-
| Molecular Formula | C19H19NO6 |
| Molecular Weight | 357.12125 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.12125 Da |
| Heavy Atoms | 26 |
| Complexity | 532.0 |
| SMILES | CCN(CC)C1=CC(=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)O |
| InChIKey | QZQLZSOVLJRVIK-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 1,4-Benzenedicarboxylic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenedicarboxylic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)-. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)- has 3 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 1,4-Benzenedicarboxylic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)- is 52716-31-1.
The molecular formula of 1,4-Benzenedicarboxylic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)- is C19H19NO6.
The molecular weight of 1,4-Benzenedicarboxylic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)- is 357.12125 g/mol.
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