1,3,5-Tris(2-hydroxyethyl) isocyanurate
TL;DR: 1,3,5-Tris(2-hydroxyethyl) isocyanurate (CAS 839-90-7) is a chemical compound with molecular formula C9H15N3O6 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
Also Known As: Theic, Tris(2-hydroxyethyl) isocyanurate, 1,3,5-Tris(2-hydroxyethyl)cyanuric acid, Tanac, Tris(hydroxyethyl) cyanurate
| Molecular Formula | C9H15N3O6 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.0961 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
| Melting Point | 135 °C |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 0.000045 [mmHg] |
Chemical Identifiers
| CAS Number | 839-90-7 |
|---|---|
| SMILES | C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO |
| InChIKey | BPXVHIRIPLPOPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Tris(2-hydroxyethyl) isocyanurate (CAS 839-90-7), with molecular formula C9H15N3O6 and molecular weight 261.10 g/mol. IUPAC: 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of 1,3,5-Tris(2-hydroxyethyl) isocyanurate
Property Insights of 1,3,5-Tris(2-hydroxyethyl) isocyanurate
The XLogP value of -2.7 indicates that 1,3,5-Tris(2-hydroxyethyl) isocyanurate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Tris(2-hydroxyethyl) isocyanurate. Following Lipinski's Rule of Five, 1,3,5-Tris(2-hydroxyethyl) isocyanurate has 3 hydrogen bond donor(s) and 6 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 1,3,5-Tris(2-hydroxyethyl) isocyanurate?
The CAS number of 1,3,5-Tris(2-hydroxyethyl) isocyanurate is 839-90-7.
What is the molecular formula of 1,3,5-Tris(2-hydroxyethyl) isocyanurate?
The molecular formula of 1,3,5-Tris(2-hydroxyethyl) isocyanurate is C9H15N3O6.
What is the molecular weight of 1,3,5-Tris(2-hydroxyethyl) isocyanurate?
The molecular weight of 1,3,5-Tris(2-hydroxyethyl) isocyanurate is 261.10 g/mol.
Where can I buy 1,3,5-Tris(2-hydroxyethyl) isocyanurate?
You can request a quote for 1,3,5-Tris(2-hydroxyethyl) isocyanurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Tris(2-hydroxyethyl) isocyanurate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tris(2-hydroxyethyl) isocyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.