Tris(2-chloroethyl)isocyanuric acid
TL;DR: Tris(2-chloroethyl)isocyanuric acid (CAS 6299-37-2) is a chemical compound with molecular formula C9H12Cl3N3O3 and molecular weight 314.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris(2-chloroethyl)-1,3,5-triazinane-2,4,6-trione
Also Known As: Tris(2-chloroethyl)isocyanuric acid, 1,3,5-Tris(2-chloroethyl)-1,3,5-triazinane-2,4,6-trione, 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-chloroethyl)-, 1,3,5-Tris(2-chloroethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-chloroethyl)-
| Molecular Formula | C9H12Cl3N3O3 |
|---|---|
| Molecular Weight | 314.99 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.99442 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 6299-37-2 |
|---|---|
| SMILES | C(CCl)N1C(=O)N(C(=O)N(C1=O)CCCl)CCCl |
| InChIKey | XVNBMCIQCILWHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(2-chloroethyl)isocyanuric acid (CAS 6299-37-2), with molecular formula C9H12Cl3N3O3 and molecular weight 314.99 g/mol. IUPAC: 1,3,5-tris(2-chloroethyl)-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of Tris(2-chloroethyl)isocyanuric acid
Property Insights of Tris(2-chloroethyl)isocyanuric acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tris(2-chloroethyl)isocyanuric acid. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(2-chloroethyl)isocyanuric acid. Following Lipinski's Rule of Five, Tris(2-chloroethyl)isocyanuric acid has 0 hydrogen bond donor(s) and 3 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(2-chloroethyl)isocyanuric acid?
The CAS number of Tris(2-chloroethyl)isocyanuric acid is 6299-37-2.
What is the molecular formula of Tris(2-chloroethyl)isocyanuric acid?
The molecular formula of Tris(2-chloroethyl)isocyanuric acid is C9H12Cl3N3O3.
What is the molecular weight of Tris(2-chloroethyl)isocyanuric acid?
The molecular weight of Tris(2-chloroethyl)isocyanuric acid is 314.99 g/mol.
Where can I buy Tris(2-chloroethyl)isocyanuric acid?
You can request a quote for Tris(2-chloroethyl)isocyanuric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(2-chloroethyl)isocyanuric acid?
Yes, KEHONG BIO provides custom synthesis services for Tris(2-chloroethyl)isocyanuric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.