Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt
TL;DR: Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt (CAS 5136-51-6) is a chemical compound with molecular formula C36H56Na2O7S2 and molecular weight 710.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-dodecyl-2-(5-dodecyl-2-sulfonatophenoxy)benzenesulfonate
Also Known As: Caswell No. 407, EPA Pesticide Chemical Code 079003, Disodium 2,2'-oxybis(4-dodecylbenzenesulfonate), Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt, Disodium 2,2'-oxybis(4-dodecylbenzene-1-sulfonate)
| Molecular Formula | C36H56Na2O7S2 |
|---|---|
| Molecular Weight | 710.33 g/mol |
| LogP | 4.22 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 24 |
| Exact Mass | 710.3263 |
| Heavy Atoms | 47 |
| Complexity | 839.0 |
Chemical Identifiers
| CAS Number | 5136-51-6 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])OC2=C(C=CC(=C2)CCCCCCCCCCCC)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | XNVLWGKGHDHNFH-UHFFFAOYSA-L |
Product Overview
Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt (CAS 5136-51-6), with molecular formula C36H56Na2O7S2 and molecular weight 710.33 g/mol. IUPAC: disodium;4-dodecyl-2-(5-dodecyl-2-sulfonatophenoxy)benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt
Property Insights of Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt
The XLogP value of 4.22 indicates that Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt 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 Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt?
The CAS number of Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt is 5136-51-6.
What is the molecular formula of Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt?
The molecular formula of Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt is C36H56Na2O7S2.
What is the molecular weight of Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt?
The molecular weight of Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt is 710.33 g/mol.
Where can I buy Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt?
You can request a quote for Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2,2'-oxybis(4-dodecyl-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.