Primisulfuron-methyl
TL;DR: Primisulfuron-methyl (CAS 86209-51-0) is a chemical compound with molecular formula C15H12F4N4O7S and molecular weight 468.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate
Also Known As: Primisulfuron-methyl, Beacon, Tell, Rifle, Primisulfuron
| Molecular Formula | C15H12F4N4O7S |
|---|---|
| Molecular Weight | 468.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.0363 |
| Heavy Atoms | 31 |
| Complexity | 707.0 |
| Melting Point | 194.8-197.4 °C (decomposition) |
| Density | 1.61 @ 20 °C |
| Solubility | Solubility in acetone 35,000 mg/l, ethanol 1000 mg/l, toluene 570 mg/l, n-octanol 7.7 mg/l, n-hexane 1.5 mg/l (all measured at 25 °C) |
| Vapor Pressure | <5X10-3 mPa (<3.75X10-8 mm Hg) @ 25 °C |
Chemical Identifiers
| CAS Number | 86209-51-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)F)OC(F)F |
| InChIKey | ZTYVMAQSHCZXLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Primisulfuron-methyl (CAS 86209-51-0), with molecular formula C15H12F4N4O7S and molecular weight 468.04 g/mol. IUPAC: methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate.
Chemical Property Profile of Primisulfuron-methyl
Property Insights of Primisulfuron-methyl
The XLogP value of 3.6 indicates that Primisulfuron-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Primisulfuron-methyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Primisulfuron-methyl has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Primisulfuron-methyl?
The CAS number of Primisulfuron-methyl is 86209-51-0.
What is the molecular formula of Primisulfuron-methyl?
The molecular formula of Primisulfuron-methyl is C15H12F4N4O7S.
What is the molecular weight of Primisulfuron-methyl?
The molecular weight of Primisulfuron-methyl is 468.04 g/mol.
Where can I buy Primisulfuron-methyl?
You can request a quote for Primisulfuron-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Primisulfuron-methyl?
Yes, KEHONG BIO provides custom synthesis services for Primisulfuron-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.