Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester (CAS 53358-08-0) 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,N-dimethylacetamide
Also Known As: 4-04-00-00253 (Beilstein Handbook Reference), Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester, O,O-Diethyl S-(N,N-dimethylcarbamoylmethyl) phosphorothiolate, 2-diethoxyphosphorylsulfanyl-N,N-dimethylacetamide, s-[2-(dimethylamino)-2-oxoethyl] o,o-diethyl phosphorothioate
| Molecular Formula | C8H18NO4PS |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.06941 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 53358-08-0 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC(=O)N(C)C |
| InChIKey | AJTMDWQLMRDRHE-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester (CAS 53358-08-0), with molecular formula C8H18NO4PS and molecular weight 255.07 g/mol. IUPAC: 2-diethoxyphosphorylsulfanyl-N,N-dimethylacetamide.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester 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 Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester is 53358-08-0.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester is C8H18NO4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester is 255.07 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-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-(2-(dimethylamino)-2-oxoethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.