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Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate
TL;DR: Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate (CAS 36196-44-8) is a chemical compound with molecular formula C18H27N3O9S3 and molecular weight 525.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4,6-trioxo-3,5-bis[2-(3-sulfanylpropanoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 3-sulfanylpropanoate
Also Known As: Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate, KST-1A4348, TRIS[2- ETHYL]ISOCYANURATE, 2-[2,4,6-trioxo-3,5-bis[2-(3-sulfanylpropanoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 3-sulfanylpropanoate, (2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)triethane-2,1-diyl tris(3-mercaptopropionate)
| Molecular Formula | C18H27N3O9S3 |
|---|---|
| Molecular Weight | 525.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 525.09094 |
| Heavy Atoms | 33 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 36196-44-8 |
|---|---|
| SMILES | C(CS)C(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)CCS)CCOC(=O)CCS |
| InChIKey | CFKONAWMNQERAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate (CAS 36196-44-8), with molecular formula C18H27N3O9S3 and molecular weight 525.09 g/mol. IUPAC: 2-[2,4,6-trioxo-3,5-bis[2-(3-sulfanylpropanoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 3-sulfanylpropanoate.
Chemical Property Profile of Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate
Property Insights of Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate
The XLogP value of -0.3 indicates that Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate?
The CAS number of Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate is 36196-44-8.
What is the molecular formula of Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate?
The molecular formula of Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate is C18H27N3O9S3.
What is the molecular weight of Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate?
The molecular weight of Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate is 525.09 g/mol.
Where can I buy Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate?
You can request a quote for Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate?
Yes, KEHONG BIO provides custom synthesis services for Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.