Chlorimuron-ethyl
TL;DR: Chlorimuron-ethyl (CAS 90982-32-4) is a chemical compound with molecular formula C15H15ClN4O6S and molecular weight 414.04007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Also Known As: CHLORIMURON-ETHYL, Chlorimuron ethyl, Classic, Chlorimuron ethyl ester, Skirmish
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H15ClN4O6S |
| Molecular Weight | 414.04007 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.04007 Da |
| Heavy Atoms | 27 |
| Complexity | 628.0 |
| Melting Point | 181 °C |
| Density | 1.51 at 25 °C |
| Vapor Pressure | 4.0X10-12 mm Hg at 25 °C |
| Solubility | Low solubility in organic solvents. |
| SMILES | CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC |
| InChIKey | NSWAMPCUPHPTTC-UHFFFAOYSA-N |
Chemical Property Profile of Chlorimuron-ethyl
Property Insights of Chlorimuron-ethyl
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorimuron-ethyl. The TPSA of 145.0 Ų indicates high polarity, suggesting Chlorimuron-ethyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorimuron-ethyl has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chlorimuron-ethyl?
The CAS number of Chlorimuron-ethyl is 90982-32-4.
What is the molecular formula of Chlorimuron-ethyl?
The molecular formula of Chlorimuron-ethyl is C15H15ClN4O6S.
What is the molecular weight of Chlorimuron-ethyl?
The molecular weight of Chlorimuron-ethyl is 414.04007 g/mol.
Where can I buy Chlorimuron-ethyl?
You can request a quote for Chlorimuron-ethyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorimuron-ethyl?
Yes, CoreyChem provides custom synthesis services for Chlorimuron-ethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.