TL;DR: Melandrin (CAS 122741-61-1) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxy-2-[(4-hydroxybenzoyl)amino]benzoic acid
Also Known As: Melandrin, 5-hydroxy-2-[(4-hydroxybenzoyl)amino]benzoic acid, Benzoic acid,5-hydroxy-2-[(4-hydroxybenzoyl)amino]-, Benzoic acid, 5-hydroxy-2-((4-hydroxybenzoyl)amino)-, 5-Hydroxy-2-(4-hydroxybenzamido)benzoic acid
| Molecular Formula | C14H11NO5 |
| Molecular Weight | 273.06372 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.06372 Da |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
| SMILES | C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O |
| InChIKey | ZOKNFJAARIIMMM-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Melandrin. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Melandrin. Following Lipinski's Rule of Five, Melandrin has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Melandrin is 122741-61-1.
The molecular formula of Melandrin is C14H11NO5.
The molecular weight of Melandrin is 273.06372 g/mol.
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