Diniconazole
TL;DR: Diniconazole (CAS 76714-88-0) is a chemical compound with molecular formula C15H17Cl2N3O and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
Also Known As: Diniconazole, Spotless, Mixor, Ortho spotless, Diclopentezol
| Molecular Formula | C15H17Cl2N3O |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 3.99 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.07486 |
| Heavy Atoms | 21 |
| Complexity | 645.4335 |
Chemical Identifiers
| CAS Number | 76714-88-0 |
|---|---|
| SMILES | CC(C)(C)C(/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O |
Product Overview
Diniconazole (CAS 76714-88-0), with molecular formula C15H17Cl2N3O and molecular weight 325.07 g/mol. IUPAC: (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol.
Chemical Property Profile of Diniconazole
Property Insights of Diniconazole
The XLogP value of 3.99 indicates that Diniconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, Diniconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diniconazole has 1 hydrogen bond donor(s) and 3 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 Diniconazole?
The CAS number of Diniconazole is 76714-88-0.
What is the molecular formula of Diniconazole?
The molecular formula of Diniconazole is C15H17Cl2N3O.
What is the molecular weight of Diniconazole?
The molecular weight of Diniconazole is 325.07 g/mol.
Where can I buy Diniconazole?
You can request a quote for Diniconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diniconazole?
Yes, KEHONG BIO provides custom synthesis services for Diniconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.