Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester
TL;DR: Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester (CAS 68896-47-9) is a chemical compound with molecular formula C12H21N2O4PS2 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-ethylsulfanyl-2-methylpyridazin-3-one
Also Known As: Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester, 5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-ethylsulfanyl-2-methylpyridazin-3-one, O-Ethyl O-[5-(ethylsulfanyl)-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl] O-(propan-2-yl) phosphorothioate, O-Ethyl O-[5-(ethylsulfanyl)-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl] O-propan-2-yl phosphorothioate, PHOSPHOROTHIOIC ACID O-(1,6-DIHYDRO-5-(ETHYLTHIO)-1-METHYL-6-OXO-4-PYRIDAZINYL) O-ETHYL O-(ISOPROPYL) ESTER
| Molecular Formula | C12H21N2O4PS2 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 2.9571 |
| Topological Polar Surface Area | 62.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.06802 |
| Heavy Atoms | 21 |
| Complexity | 576.86615 |
Chemical Identifiers
| CAS Number | 68896-47-9 |
|---|---|
| SMILES | CCOP(=S)(OC1=C(C(=O)N(N=C1)C)SCC)OC(C)C |
Product Overview
Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester (CAS 68896-47-9), with molecular formula C12H21N2O4PS2 and molecular weight 352.07 g/mol. IUPAC: 5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-ethylsulfanyl-2-methylpyridazin-3-one.
Chemical Property Profile of Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester
Property Insights of Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester
The XLogP value of 2.9571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester. The TPSA of 62.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester 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 Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester?
The CAS number of Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester is 68896-47-9.
What is the molecular formula of Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester?
The molecular formula of Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester is C12H21N2O4PS2.
What is the molecular weight of Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester?
The molecular weight of Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester is 352.07 g/mol.
Where can I buy Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester?
You can request a quote for Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(1,6-dihydro-5-(ethylthio)-1-methyl-6-oxo-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.