Benzoic acid, 2-methyl-, barium salt (2:1)
TL;DR: Benzoic acid, 2-methyl-, barium salt (2:1) (CAS 52337-77-6) is a chemical compound with molecular formula C16H14BaO4 and molecular weight 407.99445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
barium(2+);bis(2-methylbenzoate)
Also Known As: Barium o-methylbenzoate, Barium o-toluate, bariumo-toluate, Barium toluate, Barium 2-methylbenzoate
Technical Specifications
| Molecular Formula | C16H14BaO4 |
| Molecular Weight | 407.99445 g/mol |
| XLogP | 0.34 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 407.99445 Da |
| Heavy Atoms | 21 |
| Complexity | 126.0 |
| SMILES | CC1=CC=CC=C1C(=O)[O-].CC1=CC=CC=C1C(=O)[O-].[Ba+2] |
| InChIKey | SKJBHRKKXLMKRL-UHFFFAOYSA-L |
Chemical Property Profile of Benzoic acid, 2-methyl-, barium salt (2:1)
Property Insights of Benzoic acid, 2-methyl-, barium salt (2:1)
The XLogP value of 0.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-methyl-, barium salt (2:1). The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-methyl-, barium salt (2:1). Following Lipinski's Rule of Five, Benzoic acid, 2-methyl-, barium salt (2:1) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-methyl-, barium salt (2:1)?
The CAS number of Benzoic acid, 2-methyl-, barium salt (2:1) is 52337-77-6.
What is the molecular formula of Benzoic acid, 2-methyl-, barium salt (2:1)?
The molecular formula of Benzoic acid, 2-methyl-, barium salt (2:1) is C16H14BaO4.
What is the molecular weight of Benzoic acid, 2-methyl-, barium salt (2:1)?
The molecular weight of Benzoic acid, 2-methyl-, barium salt (2:1) is 407.99445 g/mol.
Where can I buy Benzoic acid, 2-methyl-, barium salt (2:1)?
You can request a quote for Benzoic acid, 2-methyl-, barium salt (2:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-methyl-, barium salt (2:1)?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-methyl-, barium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.