Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1)
TL;DR: Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1) (CAS 4067-14-5) is a chemical compound with molecular formula C33H39AlO6 and molecular weight 558.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aluminum tris(4-tert-butylbenzoate)
Also Known As: Propazolamide, aluminum 4-tert-butylbenzoate, aluminum;4-tert-butylbenzoate, Aluminium 4-(1,1-dimethylethyl)benzoate, Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt
| Molecular Formula | C33H39AlO6 |
|---|---|
| Molecular Weight | 558.26 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 558.2562 |
| Heavy Atoms | 40 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 4067-14-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Al+3] |
| InChIKey | ZGNIGAHODXRWIT-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1) (CAS 4067-14-5), with molecular formula C33H39AlO6 and molecular weight 558.26 g/mol. IUPAC: aluminum tris(4-tert-butylbenzoate).
Chemical Property Profile of Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1)
Property Insights of Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1)
The XLogP value of 3.66 indicates that Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1). Following Lipinski's Rule of Five, Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1)?
The CAS number of Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1) is 4067-14-5.
What is the molecular formula of Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1)?
The molecular formula of Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1) is C33H39AlO6.
What is the molecular weight of Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1)?
The molecular weight of Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1) is 558.26 g/mol.
Where can I buy Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1)?
You can request a quote for Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1) 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)-, aluminum salt (3:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.