Imibenconazole
TL;DR: Imibenconazole (CAS 86598-92-7) is a chemical compound with molecular formula C17H13Cl3N4S and molecular weight 409.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate
Also Known As: Imibenconazole, Manage, Imibenconazole [ISO], Imibenconazole solution, IMIBENCONAZOLE [MI]
| Molecular Formula | C17H13Cl3N4S |
|---|---|
| Molecular Weight | 409.99 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.99265 |
| Heavy Atoms | 25 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 86598-92-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl |
| InChIKey | AGKSTYPVMZODRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imibenconazole (CAS 86598-92-7), with molecular formula C17H13Cl3N4S and molecular weight 409.99 g/mol. IUPAC: (4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate.
Chemical Property Profile of Imibenconazole
Property Insights of Imibenconazole
The XLogP value of 5.8 indicates that Imibenconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Imibenconazole. Following Lipinski's Rule of Five, Imibenconazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Imibenconazole?
The CAS number of Imibenconazole is 86598-92-7.
What is the molecular formula of Imibenconazole?
The molecular formula of Imibenconazole is C17H13Cl3N4S.
What is the molecular weight of Imibenconazole?
The molecular weight of Imibenconazole is 409.99 g/mol.
Where can I buy Imibenconazole?
You can request a quote for Imibenconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imibenconazole?
Yes, KEHONG BIO provides custom synthesis services for Imibenconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.