Sulfometuron-methyl
TL;DR: Sulfometuron-methyl (CAS 74222-97-2) is a chemical compound with molecular formula C15H16N4O5S and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Also Known As: sulfometuron-methyl, SULFOMETURON METHYL, OUST, Fersulfo, Sulfometuron methyl ester
| Molecular Formula | C15H16N4O5S |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.08414 |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
| Melting Point | 202 °C |
| Density | 1.48 g/cu cm |
| Solubility | In mg/kg at 25 °C: acetone 3300, acetonitrile 1800, ethyl acetate 650, diethyl ether 60, hexane <1, methanol 550, dichloromethane 15,000, dimethyl sulfoxide 32,000, octanol 140, toluene 240 |
| Vapor Pressure | 0.00006 [mmHg] |
Chemical Identifiers
| CAS Number | 74222-97-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C |
| InChIKey | ZDXMLEQEMNLCQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfometuron-methyl (CAS 74222-97-2), with molecular formula C15H16N4O5S and molecular weight 364.08 g/mol. IUPAC: methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate.
Chemical Property Profile of Sulfometuron-methyl
Property Insights of Sulfometuron-methyl
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfometuron-methyl. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfometuron-methyl. Following Lipinski's Rule of Five, Sulfometuron-methyl has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfometuron-methyl?
The CAS number of Sulfometuron-methyl is 74222-97-2.
What is the molecular formula of Sulfometuron-methyl?
The molecular formula of Sulfometuron-methyl is C15H16N4O5S.
What is the molecular weight of Sulfometuron-methyl?
The molecular weight of Sulfometuron-methyl is 364.08 g/mol.
Where can I buy Sulfometuron-methyl?
You can request a quote for Sulfometuron-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfometuron-methyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfometuron-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.