Sodium tetrapropylenebenzenesulfonate
TL;DR: Sodium tetrapropylenebenzenesulfonate (CAS 11067-82-6) is a chemical compound with molecular formula C54H87Na3O9S3 and molecular weight 1044.5205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trisodium;2-dodecylbenzenesulfonate;3-dodecylbenzenesulfonate;4-dodecylbenzenesulfonate
Also Known As: Neogen, Jadinol PU, Neogen R, Tetrapropylenebenzyl sulfonate, Merpisap PD82
Technical Specifications
| Molecular Formula | C54H87Na3O9S3 |
| Molecular Weight | 1044.5205 g/mol |
| XLogP | 6.17 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 33 |
| Exact Mass | 1044.5205 Da |
| Heavy Atoms | 69 |
| Complexity | 1030.0 |
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | AVWQQPYHYQKEIZ-UHFFFAOYSA-K |
Chemical Property Profile of Sodium tetrapropylenebenzenesulfonate
Property Insights of Sodium tetrapropylenebenzenesulfonate
The XLogP value of 6.17 indicates that Sodium tetrapropylenebenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting Sodium tetrapropylenebenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium tetrapropylenebenzenesulfonate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Sodium tetrapropylenebenzenesulfonate?
The CAS number of Sodium tetrapropylenebenzenesulfonate is 11067-82-6.
What is the molecular formula of Sodium tetrapropylenebenzenesulfonate?
The molecular formula of Sodium tetrapropylenebenzenesulfonate is C54H87Na3O9S3.
What is the molecular weight of Sodium tetrapropylenebenzenesulfonate?
The molecular weight of Sodium tetrapropylenebenzenesulfonate is 1044.5205 g/mol.
Where can I buy Sodium tetrapropylenebenzenesulfonate?
You can request a quote for Sodium tetrapropylenebenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sodium tetrapropylenebenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for Sodium tetrapropylenebenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.