TL;DR: 3-(Carboxy(4-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1) (CAS 63868-98-4) is a chemical compound with molecular formula C12H16HgNO6 and molecular weight 472.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[carboxy-(4-methoxybenzoyl)amino]-2-hydroxypropyl]mercury;hydrate
Also Known As: Hydroxymercuripropanolamide of p-carboxyphenoxyacetic acid, Acetic acid, (p-((2-hydroxy-3-hydroxymercuri)propyl)carbamoyl)phenoxy-, MERCURY, (3-(alpha-CARBOXY-p-ANISAMIDO)-2-HYDROXYPROPYL)HYDROXY-, 3-(Carboxy(4-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1), Mercurate(1-), [3-[[4-(carboxylatomethoxy)benzoyl]amino]-2-hydroxypropyl]hydroxy-, hydrogen
| Molecular Formula | C12H16HgNO6 |
| Molecular Weight | 472.06842 g/mol |
| XLogP | 0.32 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.06842 Da |
| Heavy Atoms | 20 |
| Complexity | 319.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)N(CC(C[Hg])O)C(=O)O.O |
| InChIKey | PFRXGZRKFVTHIM-UHFFFAOYSA-N |
The XLogP value of 0.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Carboxy(4-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1). The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Carboxy(4-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1). Following Lipinski's Rule of Five, 3-(Carboxy(4-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1) has 3 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 3-(Carboxy(4-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1) is 63868-98-4.
The molecular formula of 3-(Carboxy(4-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1) is C12H16HgNO6.
The molecular weight of 3-(Carboxy(4-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1) is 472.06842 g/mol.
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