Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester
TL;DR: Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester (CAS 26655-40-3) is a chemical compound with molecular formula C22H42O4S and molecular weight 402.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 3-[3-(6-methylheptoxy)-3-oxopropyl]sulfanylpropanoate
Also Known As: Diisooctyl 3,3'-thiobispropionate, diisooctyl3,3'-thiobispropionate, Propanoic acid, 3,3'-thiobis-, diisooctyl ester, bis(6-methylheptyl) 3,3'-sulfanediyldipropanoate, Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester
| Molecular Formula | C22H42O4S |
|---|---|
| Molecular Weight | 402.28 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 402.2804 |
| Heavy Atoms | 27 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 26655-40-3 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CCSCCC(=O)OCCCCCC(C)C |
| InChIKey | VDZNRBPIVGKYDI-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester (CAS 26655-40-3), with molecular formula C22H42O4S and molecular weight 402.28 g/mol. IUPAC: 6-methylheptyl 3-[3-(6-methylheptoxy)-3-oxopropyl]sulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester
Property Insights of Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester
The XLogP value of 6.8 indicates that Propanoic acid, 3,3'-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 Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3,3'-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 Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester?
The CAS number of Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester is 26655-40-3.
What is the molecular formula of Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester?
The molecular formula of Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester is C22H42O4S.
What is the molecular weight of Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester?
The molecular weight of Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester is 402.28 g/mol.
Where can I buy Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester?
You can request a quote for Propanoic acid, 3,3'-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 Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.