Einecs 258-145-2
TL;DR: Einecs 258-145-2 (CAS 52736-17-1) is a chemical compound with molecular formula C6H6AlNO3S+2 and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aluminum 4-aminobenzenesulfonate
Also Known As: Aluminium tris(sulphanilate), EINECS 258-145-2, aluminum 4-aminobenzenesulfonate, Benzenesulfonic acid,4-amino-, aluminum salt (3:1)
| Molecular Formula | C6H6AlNO3S+2 |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | -0.2079 |
| Topological Polar Surface Area | 83.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.98837 |
| Heavy Atoms | 12 |
| Complexity | 345.56088 |
Chemical Identifiers
| CAS Number | 52736-17-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)[O-].[Al+3] |
Product Overview
Einecs 258-145-2 (CAS 52736-17-1), with molecular formula C6H6AlNO3S+2 and molecular weight 198.99 g/mol. IUPAC: aluminum 4-aminobenzenesulfonate.
Chemical Property Profile of Einecs 258-145-2
Property Insights of Einecs 258-145-2
The XLogP value of -0.2079 indicates that Einecs 258-145-2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 258-145-2. Following Lipinski's Rule of Five, Einecs 258-145-2 has 1 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 Einecs 258-145-2?
The CAS number of Einecs 258-145-2 is 52736-17-1.
What is the molecular formula of Einecs 258-145-2?
The molecular formula of Einecs 258-145-2 is C6H6AlNO3S+2.
What is the molecular weight of Einecs 258-145-2?
The molecular weight of Einecs 258-145-2 is 198.99 g/mol.
Where can I buy Einecs 258-145-2?
You can request a quote for Einecs 258-145-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 258-145-2?
Yes, KEHONG BIO provides custom synthesis services for Einecs 258-145-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.