Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester
TL;DR: Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester (CAS 10526-15-5) 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.
2-ethylhexyl 3-[3-(2-ethylhexoxy)-3-oxopropyl]sulfanylpropanoate
Also Known As: Bis(2-ethylhexyl) 3,3'-thiodipropionate, Bis(2-ethylhexyl)thiodipropionate, DI-2-ETHYLHEXYL 3,3-THIODIPROPIONATE, AI3-22637, DI-2-ETHYLHEXYL 3,3'-THIODIPROPIONATE
| 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 | 339.0 |
Chemical Identifiers
| CAS Number | 10526-15-5 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCSCCC(=O)OCC(CC)CCCC |
| InChIKey | NKNLSBYMGKTWDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester (CAS 10526-15-5), with molecular formula C22H42O4S and molecular weight 402.28 g/mol. IUPAC: 2-ethylhexyl 3-[3-(2-ethylhexoxy)-3-oxopropyl]sulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester
Property Insights of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester
The XLogP value of 6.8 indicates that Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) 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'-bis(2-ethylhexyl) ester. Following Lipinski's Rule of Five, Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) 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'-bis(2-ethylhexyl) ester?
The CAS number of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester is 10526-15-5.
What is the molecular formula of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester?
The molecular formula of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester is C22H42O4S.
What is the molecular weight of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester?
The molecular weight of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester is 402.28 g/mol.
Where can I buy Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester?
You can request a quote for Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) 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'-bis(2-ethylhexyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.