Metamitron
TL;DR: Metamitron (CAS 41394-05-2) is a chemical compound with molecular formula C10H10N4O and molecular weight 202.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one
Also Known As: Goltix, Metamiton, Herbrak, Methiamitron, Metamitrone
| Molecular Formula | C10H10N4O |
|---|---|
| Molecular Weight | 202.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.08546 |
| Heavy Atoms | 15 |
| Complexity | 328.0 |
| Melting Point | 167 °C |
| Density | 600 kg/m³ |
| Solubility | Solubility in water, g/100ml at 20 °C: 0.17 (slightly soluble) |
| Vapor Pressure | Vapor pressure, Pa at 20 °C: 0.00000086 |
Chemical Identifiers
| CAS Number | 41394-05-2 |
|---|---|
| SMILES | CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 |
| InChIKey | VHCNQEUWZYOAEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metamitron (CAS 41394-05-2), with molecular formula C10H10N4O and molecular weight 202.09 g/mol. IUPAC: 4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one.
Chemical Property Profile of Metamitron
Property Insights of Metamitron
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metamitron. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Metamitron. Following Lipinski's Rule of Five, Metamitron has 1 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 Metamitron?
The CAS number of Metamitron is 41394-05-2.
What is the molecular formula of Metamitron?
The molecular formula of Metamitron is C10H10N4O.
What is the molecular weight of Metamitron?
The molecular weight of Metamitron is 202.09 g/mol.
Where can I buy Metamitron?
You can request a quote for Metamitron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metamitron?
Yes, KEHONG BIO provides custom synthesis services for Metamitron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.