Acifluorfen-Bentazone
TL;DR: Acifluorfen-Bentazone (CAS 86975-09-9) is a chemical compound with molecular formula C24H19ClF3N3O8S and molecular weight 601.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid;2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
Also Known As: Acifluorfen-Bentazone, Acifluorfen - Bentazone, Acifluorfen / Bentazone, Acifluorfen mixture with Bentazone, Bentazone, mixted. with acifluorfen
| Molecular Formula | C24H19ClF3N3O8S |
|---|---|
| Molecular Weight | 601.05 g/mol |
| LogP | 5.965 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 601.05334 |
| Heavy Atoms | 40 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 86975-09-9 |
|---|---|
| SMILES | CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O.C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | NQRUMKPSRHDZEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acifluorfen-Bentazone (CAS 86975-09-9), with molecular formula C24H19ClF3N3O8S and molecular weight 601.05 g/mol. IUPAC: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid;2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one.
Chemical Property Profile of Acifluorfen-Bentazone
Property Insights of Acifluorfen-Bentazone
The XLogP value of 5.965 indicates that Acifluorfen-Bentazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting Acifluorfen-Bentazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acifluorfen-Bentazone has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acifluorfen-Bentazone?
The CAS number of Acifluorfen-Bentazone is 86975-09-9.
What is the molecular formula of Acifluorfen-Bentazone?
The molecular formula of Acifluorfen-Bentazone is C24H19ClF3N3O8S.
What is the molecular weight of Acifluorfen-Bentazone?
The molecular weight of Acifluorfen-Bentazone is 601.05 g/mol.
Where can I buy Acifluorfen-Bentazone?
You can request a quote for Acifluorfen-Bentazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acifluorfen-Bentazone?
Yes, KEHONG BIO provides custom synthesis services for Acifluorfen-Bentazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.