Nicosulfuron
TL;DR: Nicosulfuron (CAS 111991-09-4) is a chemical compound with molecular formula C15H18N6O6S and molecular weight 410.10086 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
Also Known As: Nicosulfuron, Milagro, Motivell, Accent, Accent (herbicide)
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H18N6O6S |
| Molecular Weight | 410.10086 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.10086 Da |
| Heavy Atoms | 28 |
| Complexity | 642.0 |
| Melting Point | 172 °C |
| Density | 9.53 g/mL |
| Vapor Pressure | VP: 1.2X10-16 mm Hg at 25 °C |
| Solubility | Solubilities (all in g/kg, 25 °C): acetone 18, ethanol 4.5, chloroform, DMF 64, acetonitrile 23, toluene 0.370, hexane <0.02, dichloromethane 160 |
| SMILES | CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC |
| InChIKey | RTCOGUMHFFWOJV-UHFFFAOYSA-N |
Chemical Property Profile of Nicosulfuron
Property Insights of Nicosulfuron
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicosulfuron. The TPSA of 161.0 Ų indicates high polarity, suggesting Nicosulfuron may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicosulfuron has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nicosulfuron?
The CAS number of Nicosulfuron is 111991-09-4.
What is the molecular formula of Nicosulfuron?
The molecular formula of Nicosulfuron is C15H18N6O6S.
What is the molecular weight of Nicosulfuron?
The molecular weight of Nicosulfuron is 410.10086 g/mol.
Where can I buy Nicosulfuron?
You can request a quote for Nicosulfuron directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicosulfuron?
Yes, CoreyChem provides custom synthesis services for Nicosulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.