Halosulfuron
TL;DR: Halosulfuron (CAS 135397-30-7) is a chemical compound with molecular formula C12H13ClN6O7S and molecular weight 420.02548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid
Also Known As: Halosulfuron, Halosulfuron-methyl, Halosulfuron Acid, Halosulfuron [ISO:BSI], HALOSULFURON [ISO]
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13ClN6O7S |
| Molecular Weight | 420.02548 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.02548 Da |
| Heavy Atoms | 27 |
| Complexity | 649.0 |
| SMILES | CN1C(=C(C(=N1)Cl)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC |
| InChIKey | LXKOADMMGWXPJQ-UHFFFAOYSA-N |
Chemical Property Profile of Halosulfuron
Property Insights of Halosulfuron
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Halosulfuron. The TPSA of 183.0 Ų indicates high polarity, suggesting Halosulfuron may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Halosulfuron has 3 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 Halosulfuron?
The CAS number of Halosulfuron is 135397-30-7.
What is the molecular formula of Halosulfuron?
The molecular formula of Halosulfuron is C12H13ClN6O7S.
What is the molecular weight of Halosulfuron?
The molecular weight of Halosulfuron is 420.02548 g/mol.
Where can I buy Halosulfuron?
You can request a quote for Halosulfuron directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Halosulfuron?
Yes, CoreyChem provides custom synthesis services for Halosulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.