Metsulfuron
TL;DR: Metsulfuron (CAS 79510-48-8) is a chemical compound with molecular formula C13H13N5O6S and molecular weight 367.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid
Also Known As: Metsulfuron, Metsu 453, Metsulfuron [ANSI:BSI:ISO], METSULFURON [ISO], metsulfuron-methyl TP4
| Molecular Formula | C13H13N5O6S |
|---|---|
| Molecular Weight | 367.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.05865 |
| Heavy Atoms | 25 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 79510-48-8 |
|---|---|
| SMILES | CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | UWHURBUBIHUHSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metsulfuron (CAS 79510-48-8), with molecular formula C13H13N5O6S and molecular weight 367.06 g/mol. IUPAC: 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid.
Chemical Property Profile of Metsulfuron
Property Insights of Metsulfuron
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metsulfuron. The TPSA of 169.0 Ų indicates high polarity, suggesting Metsulfuron may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Metsulfuron has 3 hydrogen bond donor(s) and 9 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 Metsulfuron?
The CAS number of Metsulfuron is 79510-48-8.
What is the molecular formula of Metsulfuron?
The molecular formula of Metsulfuron is C13H13N5O6S.
What is the molecular weight of Metsulfuron?
The molecular weight of Metsulfuron is 367.06 g/mol.
Where can I buy Metsulfuron?
You can request a quote for Metsulfuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metsulfuron?
Yes, KEHONG BIO provides custom synthesis services for Metsulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.