TL;DR: Benzoic acid, 2-methyl-, cadmium salt (CAS 52337-78-7) is a chemical compound with molecular formula C16H14CdO4 and molecular weight 383.99258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cadmium(2+);bis(2-methylbenzoate)
Also Known As: Cadmium toluate, Cadmium o-toluate, Cadmium methylbenzoate, Cadmium 2-methylbenzoate, cadmium bis(2-methylbenzoate)
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H14CdO4 |
| Molecular Weight | 383.99258 g/mol |
| XLogP | 0.71 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 383.99258 Da |
| Heavy Atoms | 21 |
| Complexity | 126.0 |
| SMILES | CC1=CC=CC=C1C(=O)[O-].CC1=CC=CC=C1C(=O)[O-].[Cd+2] |
| InChIKey | CTBIYKCSLJGMRW-UHFFFAOYSA-L |
The XLogP value of 0.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-methyl-, cadmium salt. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-methyl-, cadmium salt. Following Lipinski's Rule of Five, Benzoic acid, 2-methyl-, cadmium salt has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzoic acid, 2-methyl-, cadmium salt is 52337-78-7.
The molecular formula of Benzoic acid, 2-methyl-, cadmium salt is C16H14CdO4.
The molecular weight of Benzoic acid, 2-methyl-, cadmium salt is 383.99258 g/mol.
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