Diketometribuzin
TL;DR: Diketometribuzin (CAS 56507-37-0) is a chemical compound with molecular formula C7H12N4O2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-tert-butyl-2H-1,2,4-triazine-3,5-dione
Also Known As: METRIBUZIN-DIKETO, DIKETOMETRIBUZIN, Diketo-sencor, METRIBUZIN DK, Metribuzin-Dik
| Molecular Formula | C7H12N4O2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.09602 |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 56507-37-0 |
|---|---|
| SMILES | CC(C)(C)C1=NNC(=O)N(C1=O)N |
| InChIKey | AHBXXEZLRFCZSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diketometribuzin (CAS 56507-37-0), with molecular formula C7H12N4O2 and molecular weight 184.10 g/mol. IUPAC: 4-amino-6-tert-butyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of Diketometribuzin
Property Insights of Diketometribuzin
The XLogP value of -0.1 indicates that Diketometribuzin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diketometribuzin. Following Lipinski's Rule of Five, Diketometribuzin has 2 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 Diketometribuzin?
The CAS number of Diketometribuzin is 56507-37-0.
What is the molecular formula of Diketometribuzin?
The molecular formula of Diketometribuzin is C7H12N4O2.
What is the molecular weight of Diketometribuzin?
The molecular weight of Diketometribuzin is 184.10 g/mol.
Where can I buy Diketometribuzin?
You can request a quote for Diketometribuzin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diketometribuzin?
Yes, KEHONG BIO provides custom synthesis services for Diketometribuzin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.