Imazosulfuron
TL;DR: Imazosulfuron (CAS 122548-33-8) is a chemical compound with molecular formula C14H13ClN6O5S and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
Also Known As: Imazosulfuron, Imazosulfuron [ISO], BRAZZOS, TAKEOFF, Take-off
| Molecular Formula | C14H13ClN6O5S |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.03568 |
| Heavy Atoms | 27 |
| Complexity | 622.0 |
| Melting Point | 178.6-180.7 °C |
| Density | 1.652 at 20 °C |
| Solubility | In water (mg/L at 25 °C), 5 (pH 5.1), 67 (pH 6.1), 308 (pH 7) |
| Vapor Pressure | Vapor pressure: < 2.63X10-8 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 122548-33-8 |
|---|---|
| SMILES | COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(N=C3N2C=CC=C3)Cl)OC |
| InChIKey | NAGRVUXEKKZNHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imazosulfuron (CAS 122548-33-8), with molecular formula C14H13ClN6O5S and molecular weight 412.04 g/mol. IUPAC: 1-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea.
Chemical Property Profile of Imazosulfuron
Property Insights of Imazosulfuron
The XLogP value of 3.0 indicates that Imazosulfuron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Imazosulfuron may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Imazosulfuron has 2 hydrogen bond donor(s) and 8 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 Imazosulfuron?
The CAS number of Imazosulfuron is 122548-33-8.
What is the molecular formula of Imazosulfuron?
The molecular formula of Imazosulfuron is C14H13ClN6O5S.
What is the molecular weight of Imazosulfuron?
The molecular weight of Imazosulfuron is 412.04 g/mol.
Where can I buy Imazosulfuron?
You can request a quote for Imazosulfuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imazosulfuron?
Yes, KEHONG BIO provides custom synthesis services for Imazosulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.