1-Ethoxy-1-oxo-2-docosanesulfonic acid
TL;DR: 1-Ethoxy-1-oxo-2-docosanesulfonic acid (CAS 86952-80-9) is a chemical compound with molecular formula C24H48O5S and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-1-oxodocosane-2-sulfonic acid
Also Known As: 1-Ethoxy-1-oxo-2-docosanesulfonic acid, 1-ethoxy-1-oxodocosane-2-sulfonic acid, 2-Sulfodocosanoic acid 1-ethyl ester, 1-ethoxy-1-oxo-docosane-2-sulfonic acid, 1-Ethoxycarbonyl-1-henicosanesulfonic acid
| Molecular Formula | C24H48O5S |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 23 |
| Exact Mass | 448.32224 |
| Heavy Atoms | 30 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 86952-80-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCC(C(=O)OCC)S(=O)(=O)O |
| InChIKey | CPDMSWQWHGXJBW-UHFFFAOYSA-N |
Product Overview
1-Ethoxy-1-oxo-2-docosanesulfonic acid (CAS 86952-80-9), with molecular formula C24H48O5S and molecular weight 448.32 g/mol. IUPAC: 1-ethoxy-1-oxodocosane-2-sulfonic acid.
Chemical Property Profile of 1-Ethoxy-1-oxo-2-docosanesulfonic acid
Property Insights of 1-Ethoxy-1-oxo-2-docosanesulfonic acid
The XLogP value of 9.9 indicates that 1-Ethoxy-1-oxo-2-docosanesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethoxy-1-oxo-2-docosanesulfonic acid. Following Lipinski's Rule of Five, 1-Ethoxy-1-oxo-2-docosanesulfonic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Ethoxy-1-oxo-2-docosanesulfonic acid?
The CAS number of 1-Ethoxy-1-oxo-2-docosanesulfonic acid is 86952-80-9.
What is the molecular formula of 1-Ethoxy-1-oxo-2-docosanesulfonic acid?
The molecular formula of 1-Ethoxy-1-oxo-2-docosanesulfonic acid is C24H48O5S.
What is the molecular weight of 1-Ethoxy-1-oxo-2-docosanesulfonic acid?
The molecular weight of 1-Ethoxy-1-oxo-2-docosanesulfonic acid is 448.32 g/mol.
Where can I buy 1-Ethoxy-1-oxo-2-docosanesulfonic acid?
You can request a quote for 1-Ethoxy-1-oxo-2-docosanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxy-1-oxo-2-docosanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxy-1-oxo-2-docosanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.