Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester
TL;DR: Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester (CAS 22695-02-9) is a chemical compound with molecular formula C14H26O4S and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 3-[3-(2-methylpropoxy)-3-oxopropyl]sulfanylpropanoate
Also Known As: Diisobutyl 3,3'-thiodipropionate, bis 3,3'-thiobispropionate, Thiodipropionsaeureisobutylester, Bis(2-methylpropyl) 3,3'-thiobispropionate, Propanoic acid, 3,3'-thiobis-, bis(2-methylpropyl) ester
| Molecular Formula | C14H26O4S |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 290.15518 |
| Heavy Atoms | 19 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 22695-02-9 |
|---|---|
| SMILES | CC(C)COC(=O)CCSCCC(=O)OCC(C)C |
| InChIKey | IVXXVLUDEOIOKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester (CAS 22695-02-9), with molecular formula C14H26O4S and molecular weight 290.16 g/mol. IUPAC: 2-methylpropyl 3-[3-(2-methylpropoxy)-3-oxopropyl]sulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester
Property Insights of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester
The XLogP value of 3.2 indicates that Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) 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-methylpropyl) ester. Following Lipinski's Rule of Five, Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester?
The CAS number of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester is 22695-02-9.
What is the molecular formula of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester?
The molecular formula of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester is C14H26O4S.
What is the molecular weight of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester?
The molecular weight of Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester is 290.16 g/mol.
Where can I buy Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester?
You can request a quote for Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) 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-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.