Ametryn
TL;DR: Ametryn (CAS 834-12-8) is a chemical compound with molecular formula C9H17N5S and molecular weight 227.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Also Known As: Ametryn, Gesapax, AMETRYNE, Ametrex, Evik
| Molecular Formula | C9H17N5S |
|---|---|
| Molecular Weight | 227.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.12047 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
| Melting Point | 83.6 °C |
| Boiling Point | 337 °C at 98.6 kPa |
| Density | 1.18 at 22 °C |
| Solubility | In water, 209 mg/L at 25 °C |
| Vapor Pressure | 0.00000274 [mmHg] |
Chemical Identifiers
| CAS Number | 834-12-8 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)SC)NC(C)C |
| InChIKey | RQVYBGPQFYCBGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ametryn (CAS 834-12-8), with molecular formula C9H17N5S and molecular weight 227.12 g/mol. IUPAC: 4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of Ametryn
Property Insights of Ametryn
The XLogP value of 3.0 indicates that Ametryn is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ametryn. Following Lipinski's Rule of Five, Ametryn has 2 hydrogen bond donor(s) and 6 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 Ametryn?
The CAS number of Ametryn is 834-12-8.
What is the molecular formula of Ametryn?
The molecular formula of Ametryn is C9H17N5S.
What is the molecular weight of Ametryn?
The molecular weight of Ametryn is 227.12 g/mol.
Where can I buy Ametryn?
You can request a quote for Ametryn directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ametryn?
Yes, KEHONG BIO provides custom synthesis services for Ametryn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.