Triadimefon
TL;DR: Triadimefon (CAS 43121-43-3) is a chemical compound with molecular formula C14H16ClN3O2 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
Also Known As: TRIADIMEFON, Bayleton, Azocene, Amiral, Triadimefone
| Molecular Formula | C14H16ClN3O2 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.0931 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
| Melting Point | 82.3 °C |
| Density | 1.22 at 20.0 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 72.2 °C /72 °C/ |
| Vapor Pressure | 1.5e-08 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 43121-43-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl |
| InChIKey | WURBVZBTWMNKQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triadimefon (CAS 43121-43-3), with molecular formula C14H16ClN3O2 and molecular weight 293.09 g/mol. IUPAC: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one.
Chemical Property Profile of Triadimefon
Property Insights of Triadimefon
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triadimefon. With a topological polar surface area (TPSA) of 57.0 Ų, Triadimefon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triadimefon has 0 hydrogen bond donor(s) and 4 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 Triadimefon?
The CAS number of Triadimefon is 43121-43-3.
What is the molecular formula of Triadimefon?
The molecular formula of Triadimefon is C14H16ClN3O2.
What is the molecular weight of Triadimefon?
The molecular weight of Triadimefon is 293.09 g/mol.
Where can I buy Triadimefon?
You can request a quote for Triadimefon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triadimefon?
Yes, KEHONG BIO provides custom synthesis services for Triadimefon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.