Prosulfuron
TL;DR: Prosulfuron (CAS 94125-34-5) is a chemical compound with molecular formula C15H16F3N5O4S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea
Also Known As: Prosulfuron, peak, Prosulfuron [ISO], exceed, prosulphuron
| Molecular Formula | C15H16F3N5O4S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.08752 |
| Heavy Atoms | 28 |
| Complexity | 628.0 |
| Melting Point | 155 °C (decomp.) |
| Density | 1.45 g/cu cm at 20 °C |
| Solubility | In water, 29 mg/L (pH 4.5), 87 mg/L (pH 5.0), 4000 mg/L (pH 6.8), 43000 mg/L (pH 7.7) at 25 °C |
| Flash Point | 100.00 °C (100.0 °C) - closed cup |
| Vapor Pressure | <2.63X10-8 mm Hg at 25 °C (OECD Guideline 104) |
Chemical Identifiers
| CAS Number | 94125-34-5 |
|---|---|
| SMILES | CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F |
| InChIKey | LTUNNEGNEKBSEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prosulfuron (CAS 94125-34-5), with molecular formula C15H16F3N5O4S and molecular weight 419.09 g/mol. IUPAC: 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea.
Chemical Property Profile of Prosulfuron
Property Insights of Prosulfuron
The XLogP value of 3.4 indicates that Prosulfuron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Prosulfuron. Following Lipinski's Rule of Five, Prosulfuron has 2 hydrogen bond donor(s) and 10 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 Prosulfuron?
The CAS number of Prosulfuron is 94125-34-5.
What is the molecular formula of Prosulfuron?
The molecular formula of Prosulfuron is C15H16F3N5O4S.
What is the molecular weight of Prosulfuron?
The molecular weight of Prosulfuron is 419.09 g/mol.
Where can I buy Prosulfuron?
You can request a quote for Prosulfuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prosulfuron?
Yes, KEHONG BIO provides custom synthesis services for Prosulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.