2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid
TL;DR: 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid (CAS 14992-58-6) is a chemical compound with molecular formula C18H24O3S and molecular weight 320.14462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-ditert-butylnaphthalene-1-sulfonic acid
Also Known As: Dibunate, Acide dibunique, Acidum dibunicum, dibunafon, dibunato
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H24O3S |
| Molecular Weight | 320.14462 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.14462 Da |
| Heavy Atoms | 22 |
| Complexity | 490.0 |
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C(=C(C=C2)C(C)(C)C)S(=O)(=O)O |
| InChIKey | WBEBQCINXJDZCX-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid
Property Insights of 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid
The XLogP value of 5.3 indicates that 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid. Following Lipinski's Rule of Five, 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid?
The CAS number of 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid is 14992-58-6.
What is the molecular formula of 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid?
The molecular formula of 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid is C18H24O3S.
What is the molecular weight of 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid?
The molecular weight of 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid is 320.14462 g/mol.
Where can I buy 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid?
You can request a quote for 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.