Benzenesulfonic acid, dodecyl(4-sulfophenoxy)-
TL;DR: Benzenesulfonic acid, dodecyl(4-sulfophenoxy)- (CAS 5331-87-3) is a chemical compound with molecular formula C24H34O7S2 and molecular weight 498.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-dodecyl-2-(4-sulfophenoxy)benzenesulfonic acid
Also Known As: 3-dodecyl-2-(4-sulfophenoxy)benzenesulfonic acid, Benzenesulfonic acid, dodecyl(4-sulfophenoxy)-, Benzenesulfonic acid,dodecyl(4-sulfophenoxy), 2(Or 5)-dodecyl-5(or 2)-(4-sulphophenoxy)benzenesulphonic acid, EINECS 254-877-1
| Molecular Formula | C24H34O7S2 |
|---|---|
| Molecular Weight | 498.17 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 498.1746 |
| Heavy Atoms | 33 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 5331-87-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)OC2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | GBIRRIOXOHFVKC-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, dodecyl(4-sulfophenoxy)- (CAS 5331-87-3), with molecular formula C24H34O7S2 and molecular weight 498.17 g/mol. IUPAC: 3-dodecyl-2-(4-sulfophenoxy)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, dodecyl(4-sulfophenoxy)-
Property Insights of Benzenesulfonic acid, dodecyl(4-sulfophenoxy)-
The XLogP value of 7.2 indicates that Benzenesulfonic acid, dodecyl(4-sulfophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, dodecyl(4-sulfophenoxy)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, dodecyl(4-sulfophenoxy)- 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, dodecyl(4-sulfophenoxy)-?
The CAS number of Benzenesulfonic acid, dodecyl(4-sulfophenoxy)- is 5331-87-3.
What is the molecular formula of Benzenesulfonic acid, dodecyl(4-sulfophenoxy)-?
The molecular formula of Benzenesulfonic acid, dodecyl(4-sulfophenoxy)- is C24H34O7S2.
What is the molecular weight of Benzenesulfonic acid, dodecyl(4-sulfophenoxy)-?
The molecular weight of Benzenesulfonic acid, dodecyl(4-sulfophenoxy)- is 498.17 g/mol.
Where can I buy Benzenesulfonic acid, dodecyl(4-sulfophenoxy)-?
You can request a quote for Benzenesulfonic acid, dodecyl(4-sulfophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, dodecyl(4-sulfophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, dodecyl(4-sulfophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.