Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester
TL;DR: Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester (CAS 20766-78-3) is a chemical compound with molecular formula C7H19N2O3PS and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(ethylamino)propylamino]ethylsulfanylphosphonic acid
Also Known As: Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester, S-2-(3-Ethylaminopropylamino)ethyl dihydrogen phosphorothioate, Ethanethiol, 2-((3-(ethylamino)propyl)amino)-, dihydrogen phosphate, s-(2-{[3-(ethylamino)propyl]amino}ethyl) dihydrogen phosphorothioate, 2-[3-(ethylamino)propylamino]ethylsulfanylphosphonic acid
| Molecular Formula | C7H19N2O3PS |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 242.0854 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 20766-78-3 |
|---|---|
| SMILES | CCNCCCNCCSP(=O)(O)O |
| InChIKey | CYCUEVSCCXSGDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester (CAS 20766-78-3), with molecular formula C7H19N2O3PS and molecular weight 242.09 g/mol. IUPAC: 2-[3-(ethylamino)propylamino]ethylsulfanylphosphonic acid.
Chemical Property Profile of Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester
Property Insights of Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester
The XLogP value of -3.6 indicates that Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester has 4 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, S-(2-(3-ethylaminopropylamino)ethyl) ester?
The CAS number of Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester is 20766-78-3.
What is the molecular formula of Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester?
The molecular formula of Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester is C7H19N2O3PS.
What is the molecular weight of Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester?
The molecular weight of Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester is 242.09 g/mol.
Where can I buy Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester?
You can request a quote for Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)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, S-(2-(3-ethylaminopropylamino)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(2-(3-ethylaminopropylamino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.