Hexadecyl benzenesulfonate
TL;DR: Hexadecyl benzenesulfonate (CAS 131060-12-3) is a chemical compound with molecular formula C22H38O3S and molecular weight 382.25418 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexadecyl benzenesulfonate
Also Known As: hexadecyl benzenesulfonate, hexadecyl benzene sulfonate, 1-(benzenesulfonyloxy)hexadecane
Technical Specifications
| Molecular Formula | C22H38O3S |
| Molecular Weight | 382.25418 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 382.25418 Da |
| Heavy Atoms | 26 |
| Complexity | 394.0 |
| SMILES | CCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | WZXYXXWJPMLRGG-UHFFFAOYSA-N |
Chemical Property Profile of Hexadecyl benzenesulfonate
Property Insights of Hexadecyl benzenesulfonate
The XLogP value of 9.0 indicates that Hexadecyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Hexadecyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl benzenesulfonate has 0 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 Hexadecyl benzenesulfonate?
The CAS number of Hexadecyl benzenesulfonate is 131060-12-3.
What is the molecular formula of Hexadecyl benzenesulfonate?
The molecular formula of Hexadecyl benzenesulfonate is C22H38O3S.
What is the molecular weight of Hexadecyl benzenesulfonate?
The molecular weight of Hexadecyl benzenesulfonate is 382.25418 g/mol.
Where can I buy Hexadecyl benzenesulfonate?
You can request a quote for Hexadecyl benzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexadecyl benzenesulfonate?
Yes, CoreyChem provides custom synthesis services for Hexadecyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.