TL;DR: Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis[5-hydroxy- (CAS 163883-76-9) is a chemical compound with molecular formula C22H16N2O8 and molecular weight 436.09067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[(2-carboxy-4-hydroxyphenyl)carbamoyl]benzoyl]amino]-5-hydroxybenzoic acid
Also Known As: Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis[5-hydroxy-, 6,6'-(terephthaloylbis(azanediyl))bis(3-hydroxybenzoic acid), 2,2'-[1,4-Phenylenebis(carbonylazanediyl)]bis(5-hydroxybenzoic acid), 2,2'-[benzene-1,4-diylbis(carbonylimino)]bis(5-hydroxybenzoic acid), 2-[[4-[(2-carboxy-4-hydroxy-phenyl)carbamoyl]benzoyl]amino]-5-hydroxy-benzoic Acid
| Molecular Formula | C22H16N2O8 |
| Molecular Weight | 436.09067 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.09067 Da |
| Heavy Atoms | 32 |
| Complexity | 661.0 |
| SMILES | C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)O)C(=O)O)C(=O)NC3=C(C=C(C=C3)O)C(=O)O |
| InChIKey | UATVVINGVDGCFD-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis[5-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis[5-hydroxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis[5-hydroxy- has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis[5-hydroxy- is 163883-76-9.
The molecular formula of Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis[5-hydroxy- is C22H16N2O8.
The molecular weight of Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis[5-hydroxy- is 436.09067 g/mol.
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