6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one
TL;DR: 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one (CAS 840486-46-6) is a chemical compound with molecular formula C18H20N6O2S and molecular weight 384.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
Also Known As: 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one, 6-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one, 6-{[4-(tert-butylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]oxy}-2-phenylpyridazin-3(2H)-one
| Molecular Formula | C18H20N6O2S |
|---|---|
| Molecular Weight | 384.14 g/mol |
| LogP | 3.1421 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.13684 |
| Heavy Atoms | 27 |
| Complexity | 985.13226 |
Chemical Identifiers
| CAS Number | 840486-46-6 |
|---|---|
| SMILES | CC(C)(C)NC1=NC(=NC(=N1)SC)OC2=NN(C(=O)C=C2)C3=CC=CC=C3 |
Product Overview
6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one (CAS 840486-46-6), with molecular formula C18H20N6O2S and molecular weight 384.14 g/mol. IUPAC: 6-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one.
Chemical Property Profile of 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one
Property Insights of 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one
The XLogP value of 3.1421 indicates that 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one. Following Lipinski's Rule of Five, 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one has 1 hydrogen bond donor(s) and 8 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 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one?
The CAS number of 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one is 840486-46-6.
What is the molecular formula of 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one?
The molecular formula of 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one is C18H20N6O2S.
What is the molecular weight of 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one?
The molecular weight of 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one is 384.14 g/mol.
Where can I buy 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one?
You can request a quote for 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-((4-(tert-butylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)-2-phenylpyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.