TRIBENURON-METHYL
TL;DR: TRIBENURON-METHYL (CAS 101200-48-0) is a chemical compound with molecular formula C15H17N5O6S and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylcarbamoylsulfamoyl]benzoate
Also Known As: TRIBENURON-METHYL, methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylcarbamoylsulfamoyl]benzoate, Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]-, methyl ester, methyl 2-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methyl]carbamoyl}aminosulfonyl)benzoate, methyl 2-(N-((4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylcarbamoyl)sulfamoyl)benzoate
| Molecular Formula | C15H17N5O6S |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.08997 |
| Heavy Atoms | 27 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 101200-48-0 |
|---|---|
| SMILES | CC1=NC(=NC(=N1)OC)CNC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC |
| InChIKey | YYAVDVIWOQBFAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
TRIBENURON-METHYL (CAS 101200-48-0), with molecular formula C15H17N5O6S and molecular weight 395.09 g/mol. IUPAC: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylcarbamoylsulfamoyl]benzoate.
Chemical Property Profile of TRIBENURON-METHYL
Property Insights of TRIBENURON-METHYL
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TRIBENURON-METHYL. The TPSA of 158.0 Ų indicates high polarity, suggesting TRIBENURON-METHYL may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TRIBENURON-METHYL has 2 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 TRIBENURON-METHYL?
The CAS number of TRIBENURON-METHYL is 101200-48-0.
What is the molecular formula of TRIBENURON-METHYL?
The molecular formula of TRIBENURON-METHYL is C15H17N5O6S.
What is the molecular weight of TRIBENURON-METHYL?
The molecular weight of TRIBENURON-METHYL is 395.09 g/mol.
Where can I buy TRIBENURON-METHYL?
You can request a quote for TRIBENURON-METHYL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TRIBENURON-METHYL?
Yes, KEHONG BIO provides custom synthesis services for TRIBENURON-METHYL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.