Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester (CAS 6331-68-6) is a chemical compound with molecular formula C8H18NO4PS and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylsulfanyl-N-methylpropanamide
Also Known As: 2-diethoxyphosphorylsulfanyl-N-methylpropanamide, O,O-Diethyl S-(N-methylcarbamoyl-1-ethyl) phosphorothiolate, Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester, 2-[(Diethoxyphosphoryl)sulfanyl]-N-methylpropanimidic acid, o,o-diethyl s-[1-(methylamino)-1-oxopropan-2-yl] phosphorothioate
| Molecular Formula | C8H18NO4PS |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.06941 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 6331-68-6 |
|---|---|
| SMILES | CCOP(=O)(OCC)SC(C)C(=O)NC |
| InChIKey | OLTLHEHFXVSEHC-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester (CAS 6331-68-6), with molecular formula C8H18NO4PS and molecular weight 255.07 g/mol. IUPAC: 2-diethoxyphosphorylsulfanyl-N-methylpropanamide.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester has 1 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 Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester is 6331-68-6.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester is C8H18NO4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester is 255.07 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) 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 S-(1-methyl-2-(methylamino)-2-oxoethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-(1-methyl-2-(methylamino)-2-oxoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.