Toxurazine
TL;DR: Toxurazine (CAS 88823-01-2) is a chemical compound with molecular formula C18H25Cl4N9O2 and molecular weight 539.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;1H-1,2,4-triazol-5-amine;2-(2,4,5-trichlorophenoxy)ethanol
Also Known As: Toxurazine, 1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-, mixt. with chlorinol and 1H-1,2,4-triazol-3-amine, 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;1H-1,2,4-triazol-5-amine;2-(2,4,5-trichlorophenoxy)ethanol, 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine; 1H-1,2,4-triazol-5-amine; 2-(2,4,5-trichlorophenoxy)ethanol, RefChem:190517
| Molecular Formula | C18H25Cl4N9O2 |
|---|---|
| Molecular Weight | 539.09 g/mol |
| LogP | 4.1819 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.08856 |
| Heavy Atoms | 33 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 88823-01-2 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)Cl)NC(C)C.C1=C(C(=CC(=C1Cl)Cl)Cl)OCCO.C1=NNC(=N1)N |
| InChIKey | UJWDBLRCAHQPMS-UHFFFAOYSA-N |
Product Overview
Toxurazine (CAS 88823-01-2), with molecular formula C18H25Cl4N9O2 and molecular weight 539.09 g/mol. IUPAC: 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;1H-1,2,4-triazol-5-amine;2-(2,4,5-trichlorophenoxy)ethanol.
Chemical Property Profile of Toxurazine
Property Insights of Toxurazine
The XLogP value of 4.1819 indicates that Toxurazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting Toxurazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Toxurazine has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Toxurazine?
The CAS number of Toxurazine is 88823-01-2.
What is the molecular formula of Toxurazine?
The molecular formula of Toxurazine is C18H25Cl4N9O2.
What is the molecular weight of Toxurazine?
The molecular weight of Toxurazine is 539.09 g/mol.
Where can I buy Toxurazine?
You can request a quote for Toxurazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toxurazine?
Yes, KEHONG BIO provides custom synthesis services for Toxurazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.