Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester (CAS 83804-86-8) is a chemical compound with molecular formula C13H23NO4PS- and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-[(6-methyl-1-oxido-2-propan-2-yl-2H-pyridin-4-yl)oxy]-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester, 4-[(diethoxyphosphorothioyl)oxy]-6-methyl-2-(propan-2-yl)pyridin-1(2h)-olate, Diethoxy-[(2-methyl-1-oxido-6-propan-2-yl-6H-pyridin-4-yl)oxy]-sulfanylidene-phosphorane, diethoxy-[(6-methyl-1-oxido-2-propan-2-yl-2H-pyridin-4-yl)oxy]-sulfanylidene-, diethoxy-[(6-methyl-1-oxido-2-propan-2-yl-2H-pyridin-4-yl)oxy]-sulfanylidene-
| Molecular Formula | C13H23NO4PS- |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.10855 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 83804-86-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC(N(C(=C1)C)[O-])C(C)C |
| InChIKey | IUCSVTYMBITHNI-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester (CAS 83804-86-8), with molecular formula C13H23NO4PS- and molecular weight 320.11 g/mol. IUPAC: diethoxy-[(6-methyl-1-oxido-2-propan-2-yl-2H-pyridin-4-yl)oxy]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester
The XLogP value of 4.0 indicates that Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester 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 Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester is 83804-86-8.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester is C13H23NO4PS-.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester is 320.11 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) 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,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(2-methyl-6-(1-methylethyl)-1-oxido-4-pyridinyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.