Einecs 247-661-3
TL;DR: Einecs 247-661-3 (CAS 26401-38-7) is a chemical compound with molecular formula C20H38O4S4 and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethylpentyl 2-[[2-oxo-2-(2,2,4-trimethylpentoxy)ethyl]tetrasulfanyl]acetate
Also Known As: Diisooctyl 2,2'-tetrathiodiacetate, Acetic acid,2,2'-tetrathiobis-, diisooctyl ester (9CI), bis(2,2,4-trimethylpentyl) 2,2'-tetrasulfane-1,4-diyldiacetate, 2,2,4-trimethylpentyl 2-[[2-oxo-2-(2,2,4-trimethylpentoxy)ethyl]tetrasulfanyl]acetate, Bis(2,2,4-trimethylpentyl) 2,2'-(tetrasulfane-1,4-diyl)diacetate
| Molecular Formula | C20H38O4S4 |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 470.16528 |
| Heavy Atoms | 28 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 26401-38-7 |
|---|---|
| SMILES | CC(C)CC(C)(C)COC(=O)CSSSSCC(=O)OCC(C)(C)CC(C)C |
| InChIKey | MDZAMXBGPDAEIF-UHFFFAOYSA-N |
Product Overview
Einecs 247-661-3 (CAS 26401-38-7), with molecular formula C20H38O4S4 and molecular weight 470.17 g/mol. IUPAC: 2,2,4-trimethylpentyl 2-[[2-oxo-2-(2,2,4-trimethylpentoxy)ethyl]tetrasulfanyl]acetate.
Chemical Property Profile of Einecs 247-661-3
Property Insights of Einecs 247-661-3
The XLogP value of 7.4 indicates that Einecs 247-661-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Einecs 247-661-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 247-661-3 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 247-661-3?
The CAS number of Einecs 247-661-3 is 26401-38-7.
What is the molecular formula of Einecs 247-661-3?
The molecular formula of Einecs 247-661-3 is C20H38O4S4.
What is the molecular weight of Einecs 247-661-3?
The molecular weight of Einecs 247-661-3 is 470.17 g/mol.
Where can I buy Einecs 247-661-3?
You can request a quote for Einecs 247-661-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 247-661-3?
Yes, KEHONG BIO provides custom synthesis services for Einecs 247-661-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.