O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate
TL;DR: O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate (CAS 6323-41-7) is a chemical compound with molecular formula C13H22NO4PS and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-diethoxyphosphinothioyloxy-6-methyl-1-propylpyridin-2-one
Also Known As: MC 3118, AI3-27631, 1-Propyl-6-methyl-4-(diethylthiophosphoryl)-2-pyridone, o,o-diethyl o-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate, 4-diethoxyphosphinothioyloxy-6-methyl-1-propylpyridin-2-one
| Molecular Formula | C13H22NO4PS |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.1007 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 6323-41-7 |
|---|---|
| SMILES | CCCN1C(=CC(=CC1=O)OP(=S)(OCC)OCC)C |
| InChIKey | HKRGNMRSLBMGGM-UHFFFAOYSA-N |
Product Overview
O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate (CAS 6323-41-7), with molecular formula C13H22NO4PS and molecular weight 319.10 g/mol. IUPAC: 4-diethoxyphosphinothioyloxy-6-methyl-1-propylpyridin-2-one.
Chemical Property Profile of O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate
Property Insights of O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate
The XLogP value of 3.2 indicates that O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate. Following Lipinski's Rule of Five, O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-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-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate?
The CAS number of O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate is 6323-41-7.
What is the molecular formula of O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate?
The molecular formula of O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate is C13H22NO4PS.
What is the molecular weight of O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate?
The molecular weight of O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate is 319.10 g/mol.
Where can I buy O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate?
You can request a quote for O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-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-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.