Flazasulfuron
TL;DR: Flazasulfuron (CAS 104040-78-0) is a chemical compound with molecular formula C13H12F3N5O5S and molecular weight 407.05112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea
Also Known As: Flazasulfuron, Shibagen, Parandul, Chikara, Flazasulfuron [ISO]
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12F3N5O5S |
| Molecular Weight | 407.05112 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.05112 Da |
| Heavy Atoms | 27 |
| Complexity | 602.0 |
| Melting Point | 164-166 °C |
| Density | 1.606 at 20 °C |
| Vapor Pressure | VP: 3.1X10-8 mm Hg |
| Solubility | In octanol 0.2, methanol 4.2, acetone 22.7, dichloromethane 22.1, ethyl acetate 6.9, toluene 0.56, acetonitrile 8.7 (all in g/L, 25 °C); in hexane 0.5 mg/L at 25 °C |
| SMILES | COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(F)(F)F)OC |
| InChIKey | HWATZEJQIXKWQS-UHFFFAOYSA-N |
Chemical Property Profile of Flazasulfuron
Property Insights of Flazasulfuron
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Flazasulfuron. The TPSA of 141.0 Ų indicates high polarity, suggesting Flazasulfuron may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Flazasulfuron has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Flazasulfuron?
The CAS number of Flazasulfuron is 104040-78-0.
What is the molecular formula of Flazasulfuron?
The molecular formula of Flazasulfuron is C13H12F3N5O5S.
What is the molecular weight of Flazasulfuron?
The molecular weight of Flazasulfuron is 407.05112 g/mol.
Where can I buy Flazasulfuron?
You can request a quote for Flazasulfuron directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Flazasulfuron?
Yes, CoreyChem provides custom synthesis services for Flazasulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.