Aluminum benzoate
TL;DR: Aluminum benzoate (CAS 555-32-8) is a chemical compound with molecular formula C21H15AlO6 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aluminum tribenzoate
Also Known As: Aluminum benzoate, Aluminium tribenzoate, aluminumbenzoate, Benzoic acid, aluminum salt, aluminum tribenzoate
| Molecular Formula | C21H15AlO6 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | -0.23 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 390.0684 |
| Heavy Atoms | 28 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 555-32-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Al+3] |
| InChIKey | CSJKPFQJIDMSGF-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aluminum benzoate (CAS 555-32-8), with molecular formula C21H15AlO6 and molecular weight 390.07 g/mol. IUPAC: aluminum tribenzoate.
Chemical Property Profile of Aluminum benzoate
Property Insights of Aluminum benzoate
The XLogP value of -0.23 indicates that Aluminum benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aluminum benzoate. Following Lipinski's Rule of Five, Aluminum benzoate has 0 hydrogen bond donor(s) and 6 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 Aluminum benzoate?
The CAS number of Aluminum benzoate is 555-32-8.
What is the molecular formula of Aluminum benzoate?
The molecular formula of Aluminum benzoate is C21H15AlO6.
What is the molecular weight of Aluminum benzoate?
The molecular weight of Aluminum benzoate is 390.07 g/mol.
Where can I buy Aluminum benzoate?
You can request a quote for Aluminum benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aluminum benzoate?
Yes, KEHONG BIO provides custom synthesis services for Aluminum benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.