嗪草酮
TL;DR: 嗪草酮 (CAS 21087-64-9) is a chemical compound with molecular formula C8H14N4OS and molecular weight 214.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
嗪草酮
4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one
Also Known As: Lexone, Sencor, Metribuzine, Sencorex, Zenkor
| Molecular Formula | C8H14N4OS |
|---|---|
| Molecular Weight | 214.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.08884 |
| Heavy Atoms | 14 |
| Complexity | 316.0 |
| Melting Point | 125.0 °C |
| Boiling Point | 132 °C @ 2 Pa |
| Density | 1.31 |
| Solubility | 0.1 % (NIOSH, 2024) |
| Vapor Pressure | 4e-07 mmHg |
Chemical Identifiers
| CAS Number | 21087-64-9 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(N(C1=O)N)SC |
| InChIKey | FOXFZRUHNHCZPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
嗪草酮 (CAS 21087-64-9), with molecular formula C8H14N4OS and molecular weight 214.09 g/mol. IUPAC: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one.
Chemical Property Profile of 嗪草酮
Property Insights of 嗪草酮
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 嗪草酮. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 嗪草酮. Following Lipinski's Rule of Five, 嗪草酮 has 1 hydrogen bond donor(s) and 5 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 嗪草酮?
The CAS number of 嗪草酮 is 21087-64-9.
What is the molecular formula of 嗪草酮?
The molecular formula of 嗪草酮 is C8H14N4OS.
What is the molecular weight of 嗪草酮?
The molecular weight of 嗪草酮 is 214.09 g/mol.
Where can I buy 嗪草酮?
You can request a quote for 嗪草酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 嗪草酮?
Yes, KEHONG BIO provides custom synthesis services for 嗪草酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.