2,3,5,6-Tetramethylbenzenesulfonic acid
TL;DR: 2,3,5,6-Tetramethylbenzenesulfonic acid (CAS 69998-58-9) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetramethylbenzenesulfonic acid
Also Known As: 2,3,5,6-tetramethylbenzenesulfonic acid, 1,2,4,5-Tetramethylbenzol-sulfonsaeure, 2,3,5,6-Tetramethylbenzene-1-sulfonic acid, AS-871/43296515, BENZENESULFONIC ACID, 2,3,5,6-TETRAMETHYL-, SODIUM SALT(1:1)
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 69998-58-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)S(=O)(=O)O)C)C |
| InChIKey | KJJMOCUMRBSKTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5,6-Tetramethylbenzenesulfonic acid (CAS 69998-58-9), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: 2,3,5,6-tetramethylbenzenesulfonic acid.
Chemical Property Profile of 2,3,5,6-Tetramethylbenzenesulfonic acid
Property Insights of 2,3,5,6-Tetramethylbenzenesulfonic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6-Tetramethylbenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5,6-Tetramethylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2,3,5,6-Tetramethylbenzenesulfonic acid has 1 hydrogen bond donor(s) and 3 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 2,3,5,6-Tetramethylbenzenesulfonic acid?
The CAS number of 2,3,5,6-Tetramethylbenzenesulfonic acid is 69998-58-9.
What is the molecular formula of 2,3,5,6-Tetramethylbenzenesulfonic acid?
The molecular formula of 2,3,5,6-Tetramethylbenzenesulfonic acid is C10H14O3S.
What is the molecular weight of 2,3,5,6-Tetramethylbenzenesulfonic acid?
The molecular weight of 2,3,5,6-Tetramethylbenzenesulfonic acid is 214.07 g/mol.
Where can I buy 2,3,5,6-Tetramethylbenzenesulfonic acid?
You can request a quote for 2,3,5,6-Tetramethylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetramethylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetramethylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.