Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1)
TL;DR: Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1) (CAS 52509-83-8) is a chemical compound with molecular formula C22H26MgO4 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
magnesium bis(4-tert-butylbenzoate)
Also Known As: Magnesium p-t-butylbenzoate, magnesium 4-tert-butylbenzoate, magnesium bis(4-tert-butylbenzoate), Magnesium p-tert-butylbenzoate, magnesium,4-tert-butylbenzoate
| Molecular Formula | C22H26MgO4 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 2.31 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.16815 |
| Heavy Atoms | 27 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 52509-83-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Mg+2] |
| InChIKey | OLQWRAPVOQGZQV-UHFFFAOYSA-L |
Product Overview
Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1) (CAS 52509-83-8), with molecular formula C22H26MgO4 and molecular weight 378.17 g/mol. IUPAC: magnesium bis(4-tert-butylbenzoate).
Chemical Property Profile of Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1)
Property Insights of Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1)
The XLogP value of 2.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1). The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1). Following Lipinski's Rule of Five, Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1)?
The CAS number of Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1) is 52509-83-8.
What is the molecular formula of Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1)?
The molecular formula of Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1) is C22H26MgO4.
What is the molecular weight of Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1)?
The molecular weight of Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1) is 378.17 g/mol.
Where can I buy Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1)?
You can request a quote for Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.