Tris(3-chloro-2-hydroxypropyl)isocyanurate
TL;DR: Tris(3-chloro-2-hydroxypropyl)isocyanurate (CAS 7423-53-2) is a chemical compound with molecular formula C12H18Cl3N3O6 and molecular weight 405.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris(3-chloro-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
Also Known As: Metaxalone Impurity 10, Tris(3-chloro-2-hydroxypropyl)isocyanurate, Tris(3-chloro-2-hydroxypropyl) isocyanurate, TRIS(3-CHLORO2-HYDROXYPROPYL)ISOCYANURATE, 1,3,5-tris(3-chloro-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
| Molecular Formula | C12H18Cl3N3O6 |
|---|---|
| Molecular Weight | 405.03 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.02612 |
| Heavy Atoms | 24 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 7423-53-2 |
|---|---|
| SMILES | C(C(CCl)O)N1C(=O)N(C(=O)N(C1=O)CC(CCl)O)CC(CCl)O |
| InChIKey | IEWXGNMLWRMTTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(3-chloro-2-hydroxypropyl)isocyanurate (CAS 7423-53-2), with molecular formula C12H18Cl3N3O6 and molecular weight 405.03 g/mol. IUPAC: 1,3,5-tris(3-chloro-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of Tris(3-chloro-2-hydroxypropyl)isocyanurate
Property Insights of Tris(3-chloro-2-hydroxypropyl)isocyanurate
The XLogP value of -0.7 indicates that Tris(3-chloro-2-hydroxypropyl)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 Tris(3-chloro-2-hydroxypropyl)isocyanurate. Following Lipinski's Rule of Five, Tris(3-chloro-2-hydroxypropyl)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 Tris(3-chloro-2-hydroxypropyl)isocyanurate?
The CAS number of Tris(3-chloro-2-hydroxypropyl)isocyanurate is 7423-53-2.
What is the molecular formula of Tris(3-chloro-2-hydroxypropyl)isocyanurate?
The molecular formula of Tris(3-chloro-2-hydroxypropyl)isocyanurate is C12H18Cl3N3O6.
What is the molecular weight of Tris(3-chloro-2-hydroxypropyl)isocyanurate?
The molecular weight of Tris(3-chloro-2-hydroxypropyl)isocyanurate is 405.03 g/mol.
Where can I buy Tris(3-chloro-2-hydroxypropyl)isocyanurate?
You can request a quote for Tris(3-chloro-2-hydroxypropyl)isocyanurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(3-chloro-2-hydroxypropyl)isocyanurate?
Yes, KEHONG BIO provides custom synthesis services for Tris(3-chloro-2-hydroxypropyl)isocyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.