O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate
TL;DR: O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate (CAS 6321-65-9) is a chemical compound with molecular formula C12H20NO4PS and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-diethoxyphosphinothioyloxy-1-ethyl-6-methylpyridin-2-one
Also Known As: o,o-diethyl o-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate, 4-diethoxyphosphinothioyloxy-1-ethyl-6-methyl-pyridin-2-one, 4-diethoxyphosphinothioyloxy-1-ethyl-6-methylpyridin-2-one, Phosphorothioic acid, O,O-diethyl ester, O-ester with 1-ethyl-4-hydroxy-6-methyl-2(1H)-pyridone, RefChem:1093493
| Molecular Formula | C12H20NO4PS |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.08505 |
| Heavy Atoms | 19 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 6321-65-9 |
|---|---|
| SMILES | CCN1C(=CC(=CC1=O)OP(=S)(OCC)OCC)C |
| InChIKey | PBGVXQIFFWNDCD-UHFFFAOYSA-N |
Product Overview
O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate (CAS 6321-65-9), with molecular formula C12H20NO4PS and molecular weight 305.09 g/mol. IUPAC: 4-diethoxyphosphinothioyloxy-1-ethyl-6-methylpyridin-2-one.
Chemical Property Profile of O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate
Property Insights of O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate. Following Lipinski's Rule of Five, O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate has 0 hydrogen bond donor(s) and 5 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,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate?
The CAS number of O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate is 6321-65-9.
What is the molecular formula of O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate?
The molecular formula of O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate is C12H20NO4PS.
What is the molecular weight of O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate?
The molecular weight of O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate is 305.09 g/mol.
Where can I buy O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate?
You can request a quote for O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-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,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Diethyl O-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl) phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.