Calcium p-dodecylbenzenesulfonate
TL;DR: Calcium p-dodecylbenzenesulfonate (CAS 26264-06-2) is a chemical compound with molecular formula C36H58CaO6S2 and molecular weight 690.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-dodecylbenzenesulfonate)
Also Known As: Calcium p-dodecylbenzenesulfonate, calcium 4-dodecylbenzenesulfonate, Calcium dodecylbenzene sulfonate, calcium;4-dodecylbenzenesulfonate, CALCIUMDODECYLBENZENESULFONATE
| Molecular Formula | C36H58CaO6S2 |
|---|---|
| Molecular Weight | 690.33 g/mol |
| LogP | 9.7274 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Exact Mass | 690.3301 |
| Heavy Atoms | 45 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 26264-06-2 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2] |
| InChIKey | IQAXZJZTCMIPCX-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium p-dodecylbenzenesulfonate (CAS 26264-06-2), with molecular formula C36H58CaO6S2 and molecular weight 690.33 g/mol. IUPAC: calcium bis(4-dodecylbenzenesulfonate).
Chemical Property Profile of Calcium p-dodecylbenzenesulfonate
Property Insights of Calcium p-dodecylbenzenesulfonate
The XLogP value of 9.7274 indicates that Calcium p-dodecylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium p-dodecylbenzenesulfonate. Following Lipinski's Rule of Five, Calcium p-dodecylbenzenesulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium p-dodecylbenzenesulfonate?
The CAS number of Calcium p-dodecylbenzenesulfonate is 26264-06-2.
What is the molecular formula of Calcium p-dodecylbenzenesulfonate?
The molecular formula of Calcium p-dodecylbenzenesulfonate is C36H58CaO6S2.
What is the molecular weight of Calcium p-dodecylbenzenesulfonate?
The molecular weight of Calcium p-dodecylbenzenesulfonate is 690.33 g/mol.
Where can I buy Calcium p-dodecylbenzenesulfonate?
You can request a quote for Calcium p-dodecylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium p-dodecylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium p-dodecylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.