1,2,6-Hexanetriyl tris(mercaptoacetate)
TL;DR: 1,2,6-Hexanetriyl tris(mercaptoacetate) (CAS 19759-80-9) is a chemical compound with molecular formula C12H20O6S3 and molecular weight 356.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-bis[(2-sulfanylacetyl)oxy]hexyl 2-sulfanylacetate
Also Known As: 1,2,6-Hexanetriyl tris(mercaptoacetate), 1,2,6-Hexanetriol trithioglycolate, 5,6-bis[(2-sulfanylacetyl)oxy]hexyl 2-sulfanylacetate, Hexane-1,2,6-triyl tris(sulfanylacetate), Hexane-1,2,6-triyl tris(2-mercaptoacetate)
| Molecular Formula | C12H20O6S3 |
|---|---|
| Molecular Weight | 356.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 356.0422 |
| Heavy Atoms | 21 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 19759-80-9 |
|---|---|
| SMILES | C(CCOC(=O)CS)CC(COC(=O)CS)OC(=O)CS |
| InChIKey | STZADTBFGAIACP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,6-Hexanetriyl tris(mercaptoacetate) (CAS 19759-80-9), with molecular formula C12H20O6S3 and molecular weight 356.04 g/mol. IUPAC: 5,6-bis[(2-sulfanylacetyl)oxy]hexyl 2-sulfanylacetate.
Chemical Property Profile of 1,2,6-Hexanetriyl tris(mercaptoacetate)
Property Insights of 1,2,6-Hexanetriyl tris(mercaptoacetate)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,6-Hexanetriyl tris(mercaptoacetate). The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,6-Hexanetriyl tris(mercaptoacetate). Following Lipinski's Rule of Five, 1,2,6-Hexanetriyl tris(mercaptoacetate) has 3 hydrogen bond donor(s) and 9 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 1,2,6-Hexanetriyl tris(mercaptoacetate)?
The CAS number of 1,2,6-Hexanetriyl tris(mercaptoacetate) is 19759-80-9.
What is the molecular formula of 1,2,6-Hexanetriyl tris(mercaptoacetate)?
The molecular formula of 1,2,6-Hexanetriyl tris(mercaptoacetate) is C12H20O6S3.
What is the molecular weight of 1,2,6-Hexanetriyl tris(mercaptoacetate)?
The molecular weight of 1,2,6-Hexanetriyl tris(mercaptoacetate) is 356.04 g/mol.
Where can I buy 1,2,6-Hexanetriyl tris(mercaptoacetate)?
You can request a quote for 1,2,6-Hexanetriyl tris(mercaptoacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,6-Hexanetriyl tris(mercaptoacetate)?
Yes, KEHONG BIO provides custom synthesis services for 1,2,6-Hexanetriyl tris(mercaptoacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.