O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate
TL;DR: O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate (CAS 37840-80-5) is a chemical compound with molecular formula C11H19N2O3PS2 and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[ethoxy(ethyl)phosphinothioyl]oxy-4-ethylsulfanyl-2-methylpyridazin-3-one
Also Known As: O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate, 5-[ethoxy(ethyl)phosphinothioyl]oxy-4-ethylsulfanyl-2-methyl, 5-[ethoxy(ethyl)phosphinothioyl]oxy-4-ethylsulfanyl-2-methylpyridazin-3-one, 5-[ethoxy(ethyl)phosphinothioyl]oxy-4-ethylsulfanyl-2-methyl-pyridazin-3-one, Phosphonothioic acid, ethyl-, O-ethyl O-[5-(ethylthio)-1,6-dihydro-1-methyl-6-oxo-4-pyridazinyl] ester
| Molecular Formula | C11H19N2O3PS2 |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.05746 |
| Heavy Atoms | 19 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 37840-80-5 |
|---|---|
| SMILES | CCOP(=S)(CC)OC1=C(C(=O)N(N=C1)C)SCC |
| InChIKey | PHWUXNDGIIEIJB-UHFFFAOYSA-N |
Product Overview
O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate (CAS 37840-80-5), with molecular formula C11H19N2O3PS2 and molecular weight 322.06 g/mol. IUPAC: 5-[ethoxy(ethyl)phosphinothioyl]oxy-4-ethylsulfanyl-2-methylpyridazin-3-one.
Chemical Property Profile of O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate
Property Insights of O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate. Following Lipinski's Rule of Five, O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate has 0 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 O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate?
The CAS number of O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate is 37840-80-5.
What is the molecular formula of O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate?
The molecular formula of O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate is C11H19N2O3PS2.
What is the molecular weight of O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate?
The molecular weight of O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate is 322.06 g/mol.
Where can I buy O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate?
You can request a quote for O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.