4-Dodecyl-2,6-dimethylbenzenesulfonic acid
TL;DR: 4-Dodecyl-2,6-dimethylbenzenesulfonic acid (CAS 28985-56-0) is a chemical compound with molecular formula C20H34O3S and molecular weight 354.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dodecyl-2,6-dimethylbenzenesulfonic acid
Also Known As: Xylenesulfonic acid, dodecyl-, Benzenesulfonic acid, dodecyldimethyl-, 4-dodecyl-2,6-dimethylbenzenesulfonic acid, 4-dodecyl-2,6-dimethyl-benzenesulfonic Acid
| Molecular Formula | C20H34O3S |
|---|---|
| Molecular Weight | 354.22 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 354.22287 |
| Heavy Atoms | 24 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 28985-56-0 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC(=C(C(=C1)C)S(=O)(=O)O)C |
| InChIKey | BGAYSOVUBXPIFP-UHFFFAOYSA-N |
Product Overview
4-Dodecyl-2,6-dimethylbenzenesulfonic acid (CAS 28985-56-0), with molecular formula C20H34O3S and molecular weight 354.22 g/mol. IUPAC: 4-dodecyl-2,6-dimethylbenzenesulfonic acid.
Chemical Property Profile of 4-Dodecyl-2,6-dimethylbenzenesulfonic acid
Property Insights of 4-Dodecyl-2,6-dimethylbenzenesulfonic acid
The XLogP value of 7.6 indicates that 4-Dodecyl-2,6-dimethylbenzenesulfonic 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 4-Dodecyl-2,6-dimethylbenzenesulfonic acid. Following Lipinski's Rule of Five, 4-Dodecyl-2,6-dimethylbenzenesulfonic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Dodecyl-2,6-dimethylbenzenesulfonic acid?
The CAS number of 4-Dodecyl-2,6-dimethylbenzenesulfonic acid is 28985-56-0.
What is the molecular formula of 4-Dodecyl-2,6-dimethylbenzenesulfonic acid?
The molecular formula of 4-Dodecyl-2,6-dimethylbenzenesulfonic acid is C20H34O3S.
What is the molecular weight of 4-Dodecyl-2,6-dimethylbenzenesulfonic acid?
The molecular weight of 4-Dodecyl-2,6-dimethylbenzenesulfonic acid is 354.22 g/mol.
Where can I buy 4-Dodecyl-2,6-dimethylbenzenesulfonic acid?
You can request a quote for 4-Dodecyl-2,6-dimethylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dodecyl-2,6-dimethylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Dodecyl-2,6-dimethylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.