1,4-Diisooctyl sulphosuccinate
TL;DR: 1,4-Diisooctyl sulphosuccinate (CAS 29699-21-6) is a chemical compound with molecular formula C20H38O7S and molecular weight 422.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-di(octan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
Also Known As: 1,4-Diisooctyl sulphosuccinate, DIISOOCTYLSULFOSUCCINATE, 1,4-Diisooctyl sulfosuccinate, Butanedioic acid,2-sulfo-, 1,4-diisooctyl ester, 1,4-di(octan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
| Molecular Formula | C20H38O7S |
|---|---|
| Molecular Weight | 422.23 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 422.23383 |
| Heavy Atoms | 28 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 29699-21-6 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)CC(C(=O)OC(C)CCCCCC)S(=O)(=O)O |
| InChIKey | DIDMQECWEAWNQA-UHFFFAOYSA-N |
Product Overview
1,4-Diisooctyl sulphosuccinate (CAS 29699-21-6), with molecular formula C20H38O7S and molecular weight 422.23 g/mol. IUPAC: 1,4-di(octan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid.
Chemical Property Profile of 1,4-Diisooctyl sulphosuccinate
Property Insights of 1,4-Diisooctyl sulphosuccinate
The XLogP value of 5.5 indicates that 1,4-Diisooctyl sulphosuccinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diisooctyl sulphosuccinate. Following Lipinski's Rule of Five, 1,4-Diisooctyl sulphosuccinate has 1 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 1,4-Diisooctyl sulphosuccinate?
The CAS number of 1,4-Diisooctyl sulphosuccinate is 29699-21-6.
What is the molecular formula of 1,4-Diisooctyl sulphosuccinate?
The molecular formula of 1,4-Diisooctyl sulphosuccinate is C20H38O7S.
What is the molecular weight of 1,4-Diisooctyl sulphosuccinate?
The molecular weight of 1,4-Diisooctyl sulphosuccinate is 422.23 g/mol.
Where can I buy 1,4-Diisooctyl sulphosuccinate?
You can request a quote for 1,4-Diisooctyl sulphosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diisooctyl sulphosuccinate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diisooctyl sulphosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.