Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate
TL;DR: Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate (CAS 37839-90-0) is a chemical compound with molecular formula C11H19N2O5PS and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate
Also Known As: diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate, diethyl (5-ethylsulfanyl-1-methyl-6-oxo-pyridazin-4-yl) phosphate, Diethyl 5-(ethylthio)-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl phosphate, Diethyl 5-(ethylsulfanyl)-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl phosphate
| Molecular Formula | C11H19N2O5PS |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 322.07523 |
| Heavy Atoms | 20 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 37839-90-0 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC1=C(C(=O)N(N=C1)C)SCC |
| InChIKey | FRFKIYOQWGLLKN-UHFFFAOYSA-N |
Product Overview
Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate (CAS 37839-90-0), with molecular formula C11H19N2O5PS and molecular weight 322.08 g/mol. IUPAC: diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate.
Chemical Property Profile of Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate
Property Insights of Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate. Following Lipinski's Rule of Five, Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate has 0 hydrogen bond donor(s) and 7 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 Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate?
The CAS number of Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate is 37839-90-0.
What is the molecular formula of Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate?
The molecular formula of Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate is C11H19N2O5PS.
What is the molecular weight of Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate?
The molecular weight of Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate is 322.08 g/mol.
Where can I buy Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate?
You can request a quote for Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (5-ethylsulfanyl-1-methyl-6-oxopyridazin-4-yl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.