Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1)
TL;DR: Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1) (CAS 77214-82-5) is a chemical compound with molecular formula C21H21FeO9S3 and molecular weight 568.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
iron(3+);tris(4-methylbenzenesulfonate)
Also Known As: Iron(III) p-toluenesulfonate, Bremazocine, Ferric p-toluenesulfonate, Iron(III) 4-methylbenzenesulfonate, Iron(3+)
| Molecular Formula | C21H21FeO9S3 |
|---|---|
| Molecular Weight | 568.97 g/mol |
| LogP | 2.69486 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 568.9697 |
| Heavy Atoms | 34 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 77214-82-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Fe+3] |
| InChIKey | FYMCOOOLDFPFPN-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1) (CAS 77214-82-5), with molecular formula C21H21FeO9S3 and molecular weight 568.97 g/mol. IUPAC: iron(3+);tris(4-methylbenzenesulfonate).
Chemical Property Profile of Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1)
Property Insights of Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1)
The XLogP value of 2.69486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1). The TPSA of 197.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-methyl-, iron(3+) 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, 4-methyl-, iron(3+) salt (3:1)?
The CAS number of Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1) is 77214-82-5.
What is the molecular formula of Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1)?
The molecular formula of Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1) is C21H21FeO9S3.
What is the molecular weight of Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1)?
The molecular weight of Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1) is 568.97 g/mol.
Where can I buy Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1)?
You can request a quote for Benzenesulfonic acid, 4-methyl-, iron(3+) 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, 4-methyl-, iron(3+) salt (3:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.