Simeton
TL;DR: Simeton (CAS 673-04-1) is a chemical compound with molecular formula C8H15N5O and molecular weight 197.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,4-N-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine
Also Known As: Simeton, Methoxy simazine, Gesadural, SIMETONE, Pimeton
| Molecular Formula | C8H15N5O |
|---|---|
| Molecular Weight | 197.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.12766 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 673-04-1 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)OC)NCC |
| InChIKey | HKAMKLBXTLTVCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Simeton (CAS 673-04-1), with molecular formula C8H15N5O and molecular weight 197.13 g/mol. IUPAC: 2-N,4-N-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of Simeton
Property Insights of Simeton
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Simeton. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Simeton. Following Lipinski's Rule of Five, Simeton 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 Simeton?
The CAS number of Simeton is 673-04-1.
What is the molecular formula of Simeton?
The molecular formula of Simeton is C8H15N5O.
What is the molecular weight of Simeton?
The molecular weight of Simeton is 197.13 g/mol.
Where can I buy Simeton?
You can request a quote for Simeton directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Simeton?
Yes, KEHONG BIO provides custom synthesis services for Simeton and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.