Diclopentezol
TL;DR: Diclopentezol (CAS 83657-24-3) 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.
1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
Also Known As: Diniconazole, Diclopentezol, Rac-diniconazole, Spotless, Mixor
| Molecular Formula | C15H17Cl2N3O |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.07486 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 83657-24-3 |
|---|---|
| SMILES | CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O |
| InChIKey | FBOUIAKEJMZPQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diclopentezol (CAS 83657-24-3), with molecular formula C15H17Cl2N3O and molecular weight 325.07 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol.
Chemical Property Profile of Diclopentezol
Property Insights of Diclopentezol
The XLogP value of 4.2 indicates that Diclopentezol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, Diclopentezol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diclopentezol 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 Diclopentezol?
The CAS number of Diclopentezol is 83657-24-3.
What is the molecular formula of Diclopentezol?
The molecular formula of Diclopentezol is C15H17Cl2N3O.
What is the molecular weight of Diclopentezol?
The molecular weight of Diclopentezol is 325.07 g/mol.
Where can I buy Diclopentezol?
You can request a quote for Diclopentezol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diclopentezol?
Yes, KEHONG BIO provides custom synthesis services for Diclopentezol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.