Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate
TL;DR: Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate (CAS 87805-85-4) is a chemical compound with molecular formula C14H15N5O7S and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
Also Known As: Desmethyl Methoxy Metsulfuron-methyl, Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate, Methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate, J1.045.391G, methyl 2-{[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate
| Molecular Formula | C14H15N5O7S |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.0692 |
| Heavy Atoms | 27 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 87805-85-4 |
|---|---|
| SMILES | COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC |
| InChIKey | PELUGJARGQUTRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate (CAS 87805-85-4), with molecular formula C14H15N5O7S and molecular weight 397.07 g/mol. IUPAC: methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate.
Chemical Property Profile of Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate
Property Insights of Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate. The TPSA of 167.0 Ų indicates high polarity, suggesting Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate 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 Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate?
The CAS number of Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate is 87805-85-4.
What is the molecular formula of Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate?
The molecular formula of Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate is C14H15N5O7S.
What is the molecular weight of Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate?
The molecular weight of Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate is 397.07 g/mol.
Where can I buy Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate?
You can request a quote for Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.