Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester
TL;DR: Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester (CAS 30259-83-7) is a chemical compound with molecular formula C20H38O4S and molecular weight 374.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 2-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylacetate
Also Known As: Diisooctyl 2,2'-thiodiacetate, Diisooctyl 2,2'-thiobisacetate, diisooctyl2,2'-thiobisacetate, Acetic acid, 2,2'-thiobis-, diisooctyl ester, bis(6-methylheptyl) 2,2'-sulfanediyldiacetate
| Molecular Formula | C20H38O4S |
|---|---|
| Molecular Weight | 374.25 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 374.24908 |
| Heavy Atoms | 25 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 30259-83-7 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CSCC(=O)OCCCCCC(C)C |
| InChIKey | KICFDIUUBONLHK-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester (CAS 30259-83-7), with molecular formula C20H38O4S and molecular weight 374.25 g/mol. IUPAC: 6-methylheptyl 2-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylacetate.
Chemical Property Profile of Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester
Property Insights of Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester
The XLogP value of 7.0 indicates that Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester. Following Lipinski's Rule of Five, Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester has 0 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 Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester?
The CAS number of Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester is 30259-83-7.
What is the molecular formula of Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester?
The molecular formula of Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester is C20H38O4S.
What is the molecular weight of Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester?
The molecular weight of Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester is 374.25 g/mol.
Where can I buy Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester?
You can request a quote for Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2,2'-thiobis-, 1,1'-diisooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.