Bensulfuron-methyl
TL;DR: Bensulfuron-methyl (CAS 83055-99-6) is a chemical compound with molecular formula C16H18N4O7S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
Also Known As: BENSULFURON-METHYL, Bensulfuron methyl, Londax, Methyl bensulfuron, Mariner
| Molecular Formula | C16H18N4O7S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.08963 |
| Heavy Atoms | 28 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 83055-99-6 |
|---|---|
| SMILES | COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC |
| InChIKey | XMQFTWRPUQYINF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bensulfuron-methyl (CAS 83055-99-6), with molecular formula C16H18N4O7S and molecular weight 410.09 g/mol. IUPAC: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate.
Chemical Property Profile of Bensulfuron-methyl
Property Insights of Bensulfuron-methyl
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bensulfuron-methyl. The TPSA of 154.0 Ų indicates high polarity, suggesting Bensulfuron-methyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bensulfuron-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 Bensulfuron-methyl?
The CAS number of Bensulfuron-methyl is 83055-99-6.
What is the molecular formula of Bensulfuron-methyl?
The molecular formula of Bensulfuron-methyl is C16H18N4O7S.
What is the molecular weight of Bensulfuron-methyl?
The molecular weight of Bensulfuron-methyl is 410.09 g/mol.
Where can I buy Bensulfuron-methyl?
You can request a quote for Bensulfuron-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bensulfuron-methyl?
Yes, KEHONG BIO provides custom synthesis services for Bensulfuron-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.