Rimsulfuron
TL;DR: Rimsulfuron (CAS 122931-48-0) is a chemical compound with molecular formula C14H17N5O7S2 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-ethylsulfonyl-2-pyridinyl)sulfonyl]urea
Also Known As: Rimsulfuron, Titus, Tarot, Matrix, Shadeout
| Molecular Formula | C14H17N5O7S2 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.05695 |
| Heavy Atoms | 28 |
| Complexity | 722.0 |
| Melting Point | 176-178 °C |
| Density | 0.784 at 25 °C |
| Solubility | In water (25 °C): <10 mg/L (unbuffered); 7.3 g/L (buffered, pH 7) |
| Vapor Pressure | 1.5X10-3 mPa /1.13X10-8 mm Hg/ at 25 °C |
Chemical Identifiers
| CAS Number | 122931-48-0 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC |
| InChIKey | MEFOUWRMVYJCQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rimsulfuron (CAS 122931-48-0), with molecular formula C14H17N5O7S2 and molecular weight 431.06 g/mol. IUPAC: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-ethylsulfonyl-2-pyridinyl)sulfonyl]urea.
Chemical Property Profile of Rimsulfuron
Property Insights of Rimsulfuron
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rimsulfuron. The TPSA of 183.0 Ų indicates high polarity, suggesting Rimsulfuron may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rimsulfuron 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 Rimsulfuron?
The CAS number of Rimsulfuron is 122931-48-0.
What is the molecular formula of Rimsulfuron?
The molecular formula of Rimsulfuron is C14H17N5O7S2.
What is the molecular weight of Rimsulfuron?
The molecular weight of Rimsulfuron is 431.06 g/mol.
Where can I buy Rimsulfuron?
You can request a quote for Rimsulfuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rimsulfuron?
Yes, KEHONG BIO provides custom synthesis services for Rimsulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.