Diclobutrazol
TL;DR: Diclobutrazol (CAS 75736-33-3) is a chemical compound with molecular formula C15H19Cl2N3O and molecular weight 327.09 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)pentan-3-ol
Also Known As: DICLOBUTRAZOL, Dichlobutrazol, Vigil, Vigilex, Dicyclobutrazole
| Molecular Formula | C15H19Cl2N3O |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.0905 |
| Heavy Atoms | 21 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 75736-33-3 |
|---|---|
| SMILES | CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O |
| InChIKey | URDNHJIVMYZFRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diclobutrazol (CAS 75736-33-3), with molecular formula C15H19Cl2N3O and molecular weight 327.09 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol.
Chemical Property Profile of Diclobutrazol
Property Insights of Diclobutrazol
The XLogP value of 3.8 indicates that Diclobutrazol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, Diclobutrazol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diclobutrazol 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 Diclobutrazol?
The CAS number of Diclobutrazol is 75736-33-3.
What is the molecular formula of Diclobutrazol?
The molecular formula of Diclobutrazol is C15H19Cl2N3O.
What is the molecular weight of Diclobutrazol?
The molecular weight of Diclobutrazol is 327.09 g/mol.
Where can I buy Diclobutrazol?
You can request a quote for Diclobutrazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diclobutrazol?
Yes, KEHONG BIO provides custom synthesis services for Diclobutrazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.