Dihexyl thiodiglycollate
TL;DR: Dihexyl thiodiglycollate (CAS 108199-19-5) is a chemical compound with molecular formula C16H30O4S and molecular weight 318.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-(2-hexoxy-2-oxoethyl)sulfanylacetate
Also Known As: Dihexyl thiodiglycollate, Dihexyl 2,2'-thiodiacetate, dihexyl 2,2'-sulfanediyldiacetate, hexyl 2-(2-hexoxy-2-oxoethyl)sulfanylacetate
| Molecular Formula | C16H30O4S |
|---|---|
| Molecular Weight | 318.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 318.1865 |
| Heavy Atoms | 21 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 108199-19-5 |
|---|---|
| SMILES | CCCCCCOC(=O)CSCC(=O)OCCCCCC |
| InChIKey | XIHIJNIZGRYXKG-UHFFFAOYSA-N |
Product Overview
Dihexyl thiodiglycollate (CAS 108199-19-5), with molecular formula C16H30O4S and molecular weight 318.19 g/mol. IUPAC: hexyl 2-(2-hexoxy-2-oxoethyl)sulfanylacetate.
Chemical Property Profile of Dihexyl thiodiglycollate
Property Insights of Dihexyl thiodiglycollate
The XLogP value of 5.4 indicates that Dihexyl thiodiglycollate 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 Dihexyl thiodiglycollate. Following Lipinski's Rule of Five, Dihexyl thiodiglycollate 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 Dihexyl thiodiglycollate?
The CAS number of Dihexyl thiodiglycollate is 108199-19-5.
What is the molecular formula of Dihexyl thiodiglycollate?
The molecular formula of Dihexyl thiodiglycollate is C16H30O4S.
What is the molecular weight of Dihexyl thiodiglycollate?
The molecular weight of Dihexyl thiodiglycollate is 318.19 g/mol.
Where can I buy Dihexyl thiodiglycollate?
You can request a quote for Dihexyl thiodiglycollate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihexyl thiodiglycollate?
Yes, KEHONG BIO provides custom synthesis services for Dihexyl thiodiglycollate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.