O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate
TL;DR: O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate (CAS 59693-39-9) 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.
5-[ethoxy(propan-2-ylsulfanyl)phosphoryl]oxy-4-methoxy-2-methylpyridazin-3-one
Also Known As: O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate, Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O-ethyl S-(1-methylethyl) ester, O-Ethyl O-(5-methoxy-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl) S-propan-2-yl phosphorothioate, 5-[ethoxy(propan-2-ylsulfanyl)phosphoryl]oxy-4-methoxy-2-methylpyridazin-3-one, O-Ethyl O-(5-methoxy-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl) S-(propan-2-yl) phosphorothioate
| Molecular Formula | C11H19N2O5PS |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 2.4539 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.07523 |
| Heavy Atoms | 20 |
| Complexity | 560.23474 |
Chemical Identifiers
| CAS Number | 59693-39-9 |
|---|---|
| SMILES | CCOP(=O)(OC1=C(C(=O)N(N=C1)C)OC)SC(C)C |
Product Overview
O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate (CAS 59693-39-9), with molecular formula C11H19N2O5PS and molecular weight 322.08 g/mol. IUPAC: 5-[ethoxy(propan-2-ylsulfanyl)phosphoryl]oxy-4-methoxy-2-methylpyridazin-3-one.
Chemical Property Profile of O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate
Property Insights of O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate
The XLogP value of 2.4539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate. The TPSA of 79.65 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate. Following Lipinski's Rule of Five, O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate 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 O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate?
The CAS number of O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate is 59693-39-9.
What is the molecular formula of O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate?
The molecular formula of O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate is C11H19N2O5PS.
What is the molecular weight of O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate?
The molecular weight of O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate is 322.08 g/mol.
Where can I buy O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate?
You can request a quote for O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl S-isopropyl O-(5-methoxy-1-methyl-6-oxo-1H-pyridazin-4-yl) phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.