Bensulfuron
TL;DR: Bensulfuron (CAS 99283-01-9) is a chemical compound with molecular formula C15H16N4O7S and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
Also Known As: Bensulfuron, Bensulfuron [ISO], Bensulfuron (free acid), 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid, 2-((((((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid
| Molecular Formula | C15H16N4O7S |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.07397 |
| Heavy Atoms | 27 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 99283-01-9 |
|---|---|
| SMILES | COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC |
| InChIKey | PPWBRCCBKOWDNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bensulfuron (CAS 99283-01-9), with molecular formula C15H16N4O7S and molecular weight 396.07 g/mol. IUPAC: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid.
Chemical Property Profile of Bensulfuron
Property Insights of Bensulfuron
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bensulfuron. The TPSA of 165.0 Ų indicates high polarity, suggesting Bensulfuron may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bensulfuron 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 Bensulfuron?
The CAS number of Bensulfuron is 99283-01-9.
What is the molecular formula of Bensulfuron?
The molecular formula of Bensulfuron is C15H16N4O7S.
What is the molecular weight of Bensulfuron?
The molecular weight of Bensulfuron is 396.07 g/mol.
Where can I buy Bensulfuron?
You can request a quote for Bensulfuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bensulfuron?
Yes, KEHONG BIO provides custom synthesis services for Bensulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.