Disodium 4,4'-oxybis(decylbenzenesulphonate)
TL;DR: Disodium 4,4'-oxybis(decylbenzenesulphonate) (CAS 69880-77-9) is a chemical compound with molecular formula C32H48Na2O7S2 and molecular weight 654.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-decyl-4-(2-decyl-4-sulfonatophenoxy)benzenesulfonate
Also Known As: Disodium 4,4'-oxybis(decylbenzenesulphonate), Benzenesulfonic acid, 4,4'-oxybis(decyl-, disodium salt, Benzenesulfonic acid, 4,4'-oxybis(decyl-, sodium salt (1:2), disodium 3-decyl-4-(2-decyl-4-sulfonatophenoxy)benzenesulfonate
| Molecular Formula | C32H48Na2O7S2 |
|---|---|
| Molecular Weight | 654.26 g/mol |
| LogP | 2.6615 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 654.2637 |
| Heavy Atoms | 43 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 69880-77-9 |
|---|---|
| SMILES | CCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)[O-])CCCCCCCCCC.[Na+].[Na+] |
| InChIKey | GHZXOJUFMWJPTA-UHFFFAOYSA-L |
Product Overview
Disodium 4,4'-oxybis(decylbenzenesulphonate) (CAS 69880-77-9), with molecular formula C32H48Na2O7S2 and molecular weight 654.26 g/mol. IUPAC: disodium;3-decyl-4-(2-decyl-4-sulfonatophenoxy)benzenesulfonate.
Chemical Property Profile of Disodium 4,4'-oxybis(decylbenzenesulphonate)
Property Insights of Disodium 4,4'-oxybis(decylbenzenesulphonate)
The XLogP value of 2.6615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Disodium 4,4'-oxybis(decylbenzenesulphonate). The TPSA of 140.0 Ų indicates high polarity, suggesting Disodium 4,4'-oxybis(decylbenzenesulphonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disodium 4,4'-oxybis(decylbenzenesulphonate) has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Disodium 4,4'-oxybis(decylbenzenesulphonate)?
The CAS number of Disodium 4,4'-oxybis(decylbenzenesulphonate) is 69880-77-9.
What is the molecular formula of Disodium 4,4'-oxybis(decylbenzenesulphonate)?
The molecular formula of Disodium 4,4'-oxybis(decylbenzenesulphonate) is C32H48Na2O7S2.
What is the molecular weight of Disodium 4,4'-oxybis(decylbenzenesulphonate)?
The molecular weight of Disodium 4,4'-oxybis(decylbenzenesulphonate) is 654.26 g/mol.
Where can I buy Disodium 4,4'-oxybis(decylbenzenesulphonate)?
You can request a quote for Disodium 4,4'-oxybis(decylbenzenesulphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium 4,4'-oxybis(decylbenzenesulphonate)?
Yes, KEHONG BIO provides custom synthesis services for Disodium 4,4'-oxybis(decylbenzenesulphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.