Triflusulfuron-methyl
TL;DR: Triflusulfuron-methyl (CAS 126535-15-7) is a chemical compound with molecular formula C17H19F3N6O6S and molecular weight 492.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate
Also Known As: Triflusulfuron-methyl, Safari, Upbeet, Triflusulfuron methyl, Debut
| Molecular Formula | C17H19F3N6O6S |
|---|---|
| Molecular Weight | 492.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.10388 |
| Heavy Atoms | 33 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 126535-15-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C |
| InChIKey | IMEVJVISCHQJRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triflusulfuron-methyl (CAS 126535-15-7), with molecular formula C17H19F3N6O6S and molecular weight 492.10 g/mol. IUPAC: methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate.
Chemical Property Profile of Triflusulfuron-methyl
Property Insights of Triflusulfuron-methyl
The XLogP value of 3.1 indicates that Triflusulfuron-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting Triflusulfuron-methyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triflusulfuron-methyl has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triflusulfuron-methyl?
The CAS number of Triflusulfuron-methyl is 126535-15-7.
What is the molecular formula of Triflusulfuron-methyl?
The molecular formula of Triflusulfuron-methyl is C17H19F3N6O6S.
What is the molecular weight of Triflusulfuron-methyl?
The molecular weight of Triflusulfuron-methyl is 492.10 g/mol.
Where can I buy Triflusulfuron-methyl?
You can request a quote for Triflusulfuron-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triflusulfuron-methyl?
Yes, KEHONG BIO provides custom synthesis services for Triflusulfuron-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.