4-(1-Ethyldecyl)benzenesulfonic acid
TL;DR: 4-(1-Ethyldecyl)benzenesulfonic acid (CAS 18777-54-3) is a chemical compound with molecular formula C18H30O3S and molecular weight 326.19156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-dodecan-3-ylbenzenesulfonic acid
Also Known As: p-(3-Dodecyl)benzenesulphonic acid, LABSA, 3-(4-Sulfophenyl)dodecane, Dodecylbenzenesulfonic acid, DSSTox_CID_7923
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H30O3S |
| Molecular Weight | 326.19156 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.19156 Da |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
| SMILES | CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | QJRVOJKLQNSNDB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1-Ethyldecyl)benzenesulfonic acid
Property Insights of 4-(1-Ethyldecyl)benzenesulfonic acid
The XLogP value of 6.7 indicates that 4-(1-Ethyldecyl)benzenesulfonic 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-(1-Ethyldecyl)benzenesulfonic acid. Following Lipinski's Rule of Five, 4-(1-Ethyldecyl)benzenesulfonic 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 4-(1-Ethyldecyl)benzenesulfonic acid?
The CAS number of 4-(1-Ethyldecyl)benzenesulfonic acid is 18777-54-3.
What is the molecular formula of 4-(1-Ethyldecyl)benzenesulfonic acid?
The molecular formula of 4-(1-Ethyldecyl)benzenesulfonic acid is C18H30O3S.
What is the molecular weight of 4-(1-Ethyldecyl)benzenesulfonic acid?
The molecular weight of 4-(1-Ethyldecyl)benzenesulfonic acid is 326.19156 g/mol.
Where can I buy 4-(1-Ethyldecyl)benzenesulfonic acid?
You can request a quote for 4-(1-Ethyldecyl)benzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1-Ethyldecyl)benzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 4-(1-Ethyldecyl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.