Benzenesulfonic acid, dodecyl-, aluminum salt (3:1)
TL;DR: Benzenesulfonic acid, dodecyl-, aluminum salt (3:1) (CAS 3487-23-8) is a chemical compound with molecular formula C54H87AlO9S3 and molecular weight 1002.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aluminum tris(2-dodecylbenzenesulfonate)
Also Known As: Aluminium dodecylbenzenesulphonate, Aluminum dodecylbenzenesulfonate, C18H30O3S.1/3Al, aluminum 2-dodecylbenzenesulfonate, Benzenesulfonic acid, dodecyl-, aluminum salt
| Molecular Formula | C54H87AlO9S3 |
|---|---|
| Molecular Weight | 1002.53 g/mol |
| LogP | 14.7815 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 33 |
| Exact Mass | 1002.5328 |
| Heavy Atoms | 67 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 3487-23-8 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Al+3] |
| InChIKey | FMVLJTLETHJGJE-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, dodecyl-, aluminum salt (3:1) (CAS 3487-23-8), with molecular formula C54H87AlO9S3 and molecular weight 1002.53 g/mol. IUPAC: aluminum tris(2-dodecylbenzenesulfonate).
Chemical Property Profile of Benzenesulfonic acid, dodecyl-, aluminum salt (3:1)
Property Insights of Benzenesulfonic acid, dodecyl-, aluminum salt (3:1)
The XLogP value of 14.7815 indicates that Benzenesulfonic acid, dodecyl-, aluminum salt (3:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, dodecyl-, aluminum salt (3:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, dodecyl-, aluminum salt (3:1) has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, dodecyl-, aluminum salt (3:1)?
The CAS number of Benzenesulfonic acid, dodecyl-, aluminum salt (3:1) is 3487-23-8.
What is the molecular formula of Benzenesulfonic acid, dodecyl-, aluminum salt (3:1)?
The molecular formula of Benzenesulfonic acid, dodecyl-, aluminum salt (3:1) is C54H87AlO9S3.
What is the molecular weight of Benzenesulfonic acid, dodecyl-, aluminum salt (3:1)?
The molecular weight of Benzenesulfonic acid, dodecyl-, aluminum salt (3:1) is 1002.53 g/mol.
Where can I buy Benzenesulfonic acid, dodecyl-, aluminum salt (3:1)?
You can request a quote for Benzenesulfonic acid, dodecyl-, 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 Benzenesulfonic acid, dodecyl-, aluminum salt (3:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, dodecyl-, aluminum salt (3:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.