Ethametsulfuron
TL;DR: Ethametsulfuron (CAS 111353-84-5) is a chemical compound with molecular formula C14H16N6O6S and molecular weight 396.0852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid
Also Known As: Ethametsulfuron, Cilastatinesodium, Ethametsulfuron [ISO], Ethametsulfuron-methyl, ETHAMETSULFURON-METHYL 97%
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H16N6O6S |
| Molecular Weight | 396.0852 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.0852 Da |
| Heavy Atoms | 27 |
| Complexity | 626.0 |
| SMILES | CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)NC |
| InChIKey | IRLGCAJYYKDTCG-UHFFFAOYSA-N |
Chemical Property Profile of Ethametsulfuron
Property Insights of Ethametsulfuron
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethametsulfuron. The TPSA of 181.0 Ų indicates high polarity, suggesting Ethametsulfuron may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethametsulfuron has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethametsulfuron?
The CAS number of Ethametsulfuron is 111353-84-5.
What is the molecular formula of Ethametsulfuron?
The molecular formula of Ethametsulfuron is C14H16N6O6S.
What is the molecular weight of Ethametsulfuron?
The molecular weight of Ethametsulfuron is 396.0852 g/mol.
Where can I buy Ethametsulfuron?
You can request a quote for Ethametsulfuron directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethametsulfuron?
Yes, CoreyChem provides custom synthesis services for Ethametsulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.