Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2)
TL;DR: Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2) (CAS 68039-04-3) is a chemical compound with molecular formula C36H64N2O7S2 and molecular weight 700.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diazanium;3,4-didodecyl-2-(2-sulfonatophenoxy)benzenesulfonate
Also Known As: Didodecyldiphenyl ether disulfonic acid, diammonium salt, Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., diammonium salt, Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2), diazanium 3,4-didodecyl-2-(2-sulfonatophenoxy)benzenesulfonate, Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv, diammonium salt
| Molecular Formula | C36H64N2O7S2 |
|---|---|
| Molecular Weight | 700.42 g/mol |
| LogP | 10.9663 |
| Topological Polar Surface Area | 196.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 26 |
| Exact Mass | 700.41547 |
| Heavy Atoms | 47 |
| Complexity | 1332.8407 |
Chemical Identifiers
| CAS Number | 68039-04-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)[O-])CCCCCCCCCCCC.[NH4+].[NH4+] |
Product Overview
Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2) (CAS 68039-04-3), with molecular formula C36H64N2O7S2 and molecular weight 700.42 g/mol. IUPAC: diazanium;3,4-didodecyl-2-(2-sulfonatophenoxy)benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2)
Property Insights of Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2)
The XLogP value of 10.9663 indicates that Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.63 Ų indicates high polarity, suggesting Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2) has 2 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, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2)?
The CAS number of Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2) is 68039-04-3.
What is the molecular formula of Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2)?
The molecular formula of Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2) is C36H64N2O7S2.
What is the molecular weight of Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2)?
The molecular weight of Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2) is 700.42 g/mol.
Where can I buy Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2)?
You can request a quote for Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, phenoxy-, monosulfo didodecyl deriv., ammonium salt (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.