Triasulfuron
TL;DR: Triasulfuron (CAS 82097-50-5) is a chemical compound with molecular formula C14H16ClN5O5S and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Also Known As: Triasulfuron, Logran, Triasulfuron [ISO], Triasulphuron, Challenger
| Molecular Formula | C14H16ClN5O5S |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.05606 |
| Heavy Atoms | 26 |
| Complexity | 560.0 |
| Melting Point | 178.1 °C (decomposes) |
| Density | 1.5 g/cu cm |
| Solubility | In water, 1.5 g/L (pH 7) at 20 °C |
| Vapor Pressure | Vapor pressure: 7.5X10-13 mm Hg at 20 °C |
Chemical Identifiers
| CAS Number | 82097-50-5 |
|---|---|
| SMILES | CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl |
| InChIKey | XOPFESVZMSQIKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triasulfuron (CAS 82097-50-5), with molecular formula C14H16ClN5O5S and molecular weight 401.06 g/mol. IUPAC: 1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.
Chemical Property Profile of Triasulfuron
Property Insights of Triasulfuron
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triasulfuron. The TPSA of 141.0 Ų indicates high polarity, suggesting Triasulfuron may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triasulfuron 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 Triasulfuron?
The CAS number of Triasulfuron is 82097-50-5.
What is the molecular formula of Triasulfuron?
The molecular formula of Triasulfuron is C14H16ClN5O5S.
What is the molecular weight of Triasulfuron?
The molecular weight of Triasulfuron is 401.06 g/mol.
Where can I buy Triasulfuron?
You can request a quote for Triasulfuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triasulfuron?
Yes, KEHONG BIO provides custom synthesis services for Triasulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.