Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester
TL;DR: Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester (CAS 56643-24-4) is a chemical compound with molecular formula C7H19N2O4PS and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-hydroxyethylamino)propylamino]ethylsulfanylphosphonic acid
Also Known As: Pyrimidin-N-dioxid, Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester, ethanol, 2-[[3-[[2-(phosphonothio)ethyl]amino]propyl]amino]-, 2-[3-(2-hydroxyethylamino)propylamino]ethylsulfanylphosphonic acid, S-2-(3-(2-Hydroxyethylamino)propylamino)ethyl dihydrogen phosphorothioate ethanolate
| Molecular Formula | C7H19N2O4PS |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | -4.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 258.08032 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 56643-24-4 |
|---|---|
| SMILES | C(CNCCO)CNCCSP(=O)(O)O |
| InChIKey | FFSHJQVIKQNKOB-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester (CAS 56643-24-4), with molecular formula C7H19N2O4PS and molecular weight 258.08 g/mol. IUPAC: 2-[3-(2-hydroxyethylamino)propylamino]ethylsulfanylphosphonic acid.
Chemical Property Profile of Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester
Property Insights of Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester
The XLogP value of -4.6 indicates that Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester has 5 hydrogen bond donor(s) and 7 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-(2-hydroxyethylamino)propylamino)ethyl) ester?
The CAS number of Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester is 56643-24-4.
What is the molecular formula of Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester?
The molecular formula of Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester is C7H19N2O4PS.
What is the molecular weight of Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester?
The molecular weight of Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester is 258.08 g/mol.
Where can I buy Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester?
You can request a quote for Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)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-(2-hydroxyethylamino)propylamino)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(2-(3-(2-hydroxyethylamino)propylamino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.