Difenoconazole
TL;DR: Difenoconazole (CAS 119446-68-3) is a chemical compound with molecular formula C19H17Cl2N3O3 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: Difenoconazole, Score, Dividend, Dragon, Plover
| Molecular Formula | C19H17Cl2N3O3 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.0647 |
| Heavy Atoms | 27 |
| Complexity | 495.0 |
| Melting Point | 78.6 °C |
| Boiling Point | 100.8 °C (3.7 mPa) |
| Density | 1.5 g/cu cm at 20 °C |
| Solubility | In water, 15 mg/L at 25 °C |
| Vapor Pressure | VP: 1.2X10-7 Pa at 20 °C (9.0X10-10 mm Hg) |
Chemical Identifiers
| CAS Number | 119446-68-3 |
|---|---|
| SMILES | CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl |
| InChIKey | BQYJATMQXGBDHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Difenoconazole (CAS 119446-68-3), with molecular formula C19H17Cl2N3O3 and molecular weight 405.06 g/mol. IUPAC: 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of Difenoconazole
Property Insights of Difenoconazole
The XLogP value of 4.0 indicates that Difenoconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, Difenoconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difenoconazole has 0 hydrogen bond donor(s) and 5 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 Difenoconazole?
The CAS number of Difenoconazole is 119446-68-3.
What is the molecular formula of Difenoconazole?
The molecular formula of Difenoconazole is C19H17Cl2N3O3.
What is the molecular weight of Difenoconazole?
The molecular weight of Difenoconazole is 405.06 g/mol.
Where can I buy Difenoconazole?
You can request a quote for Difenoconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difenoconazole?
Yes, KEHONG BIO provides custom synthesis services for Difenoconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.