Flazasulfuron
TL;DR: Flazasulfuron (CAS 104040-78-0) is a chemical compound with molecular formula C13H12F3N5O5S and molecular weight 407.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea
Also Known As: Flazasulfuron, Shibagen, Parandul, Chikara, Flazasulfuron [ISO]
| Molecular Formula | C13H12F3N5O5S |
|---|---|
| Molecular Weight | 407.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.05112 |
| Heavy Atoms | 27 |
| Complexity | 602.0 |
| Melting Point | 164-166 °C |
| Density | 1.606 at 20 °C |
| 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 |
| Vapor Pressure | VP: 3.1X10-8 mm Hg |
Chemical Identifiers
| CAS Number | 104040-78-0 |
|---|---|
| SMILES | COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(F)(F)F)OC |
| InChIKey | HWATZEJQIXKWQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flazasulfuron (CAS 104040-78-0), with molecular formula C13H12F3N5O5S and molecular weight 407.05 g/mol. IUPAC: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea.
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
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 407.05 g/mol.
Where can I buy Flazasulfuron?
You can request a quote for Flazasulfuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flazasulfuron?
Yes, KEHONG BIO provides custom synthesis services for Flazasulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.