Toltrazuril
TL;DR: Toltrazuril (CAS 69004-03-1) is a chemical compound with molecular formula C18H14F3N3O4S and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
Also Known As: Toltrazuril, Baycox, Toltrazurilo, Toltrazurilum, bay vi 9142
| Molecular Formula | C18H14F3N3O4S |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.0657 |
| Heavy Atoms | 29 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 69004-03-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F |
| InChIKey | OCINXEZVIIVXFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toltrazuril (CAS 69004-03-1), with molecular formula C18H14F3N3O4S and molecular weight 425.07 g/mol. IUPAC: 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of Toltrazuril
Property Insights of Toltrazuril
The XLogP value of 4.4 indicates that Toltrazuril is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Toltrazuril. Following Lipinski's Rule of Five, Toltrazuril has 1 hydrogen bond donor(s) and 8 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 Toltrazuril?
The CAS number of Toltrazuril is 69004-03-1.
What is the molecular formula of Toltrazuril?
The molecular formula of Toltrazuril is C18H14F3N3O4S.
What is the molecular weight of Toltrazuril?
The molecular weight of Toltrazuril is 425.07 g/mol.
Where can I buy Toltrazuril?
You can request a quote for Toltrazuril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toltrazuril?
Yes, KEHONG BIO provides custom synthesis services for Toltrazuril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.