Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester
TL;DR: Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester (CAS 21988-64-7) is a chemical compound with molecular formula C8H21NO6P2S and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-diethoxyphosphoryl-2-dimethoxyphosphorylsulfanylethanamine
Also Known As: 4-cyano-2-fluorobenzyl alcohol, Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester, N-diethoxyphosphoryl-2-dimethoxyphosphorylsulfanylethanamine, dimethyl ({2-[(diethoxyphosphoryl)amino]ethyl}sulfanyl)phosphonate, Phosphoramidic acid, N-(O',O'-dimethylphosphorothio)ethyl-, O,O -diethyl ester
| Molecular Formula | C8H21NO6P2S |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 321.0565 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 21988-64-7 |
|---|---|
| SMILES | CCOP(=O)(NCCSP(=O)(OC)OC)OCC |
| InChIKey | ZZIQWYMSVSLETQ-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester (CAS 21988-64-7), with molecular formula C8H21NO6P2S and molecular weight 321.06 g/mol. IUPAC: N-diethoxyphosphoryl-2-dimethoxyphosphorylsulfanylethanamine.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester
Property Insights of Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester
The XLogP value of -0.3 indicates that Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester has 1 hydrogen bond donor(s) and 8 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-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester is 21988-64-7.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester is C8H21NO6P2S.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester is 321.06 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl 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-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.