Triadimenol
TL;DR: Triadimenol (CAS 55219-65-3) is a chemical compound with molecular formula C14H18ClN3O2 and molecular weight 295.11 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-ol
Also Known As: TRIADIMENOL, Baytan, Bayfidan, Spinnaker, Triafol
| Molecular Formula | C14H18ClN3O2 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.10876 |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
| Melting Point | 118-130 °C |
| Density | 1.22 g/cu cm |
| Solubility | Soluble in alcohol, ketones |
| Vapor Pressure | 3.1X10-10 mm Hg at 20 °C |
Chemical Identifiers
| CAS Number | 55219-65-3 |
|---|---|
| SMILES | CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O |
| InChIKey | BAZVSMNPJJMILC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triadimenol (CAS 55219-65-3), with molecular formula C14H18ClN3O2 and molecular weight 295.11 g/mol. IUPAC: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of Triadimenol
Property Insights of Triadimenol
The XLogP value of 3.1 indicates that Triadimenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Triadimenol. Following Lipinski's Rule of Five, Triadimenol has 1 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 Triadimenol?
The CAS number of Triadimenol is 55219-65-3.
What is the molecular formula of Triadimenol?
The molecular formula of Triadimenol is C14H18ClN3O2.
What is the molecular weight of Triadimenol?
The molecular weight of Triadimenol is 295.11 g/mol.
Where can I buy Triadimenol?
You can request a quote for Triadimenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triadimenol?
Yes, KEHONG BIO provides custom synthesis services for Triadimenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.