Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate
TL;DR: Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate (CAS 63717-23-7) is a chemical compound with molecular formula C4H15N2O4PS and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-aminoethylamino)ethylsulfanylphosphonic acid;hydrate
Also Known As: Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate, S-2-((2-Aminoethyl)amino)ethyl dihydrogen phosphorothioate hydrate, Ethanethiol, 2-((2-aminoethyl)amino)-, dihydrogen phosphate (ester) hydrate, Phosphorothioic acid, S-ester with 2-((2-aminoethyl)amino)ethanethiol, hydrate, 2-(2-aminoethylamino)ethylsulfanylphosphonic acid hydrate
| Molecular Formula | C4H15N2O4PS |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | -1.46 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.04901 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 63717-23-7 |
|---|---|
| SMILES | C(CNCCSP(=O)(O)O)N.O |
| InChIKey | KWXSCVLEALEWOQ-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate (CAS 63717-23-7), with molecular formula C4H15N2O4PS and molecular weight 218.05 g/mol. IUPAC: 2-(2-aminoethylamino)ethylsulfanylphosphonic acid;hydrate.
Chemical Property Profile of Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate
Property Insights of Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate
The XLogP value of -1.46 indicates that Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate 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-((2-aminoethyl)amino)ethyl) ester, hydrate?
The CAS number of Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate is 63717-23-7.
What is the molecular formula of Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate?
The molecular formula of Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate is C4H15N2O4PS.
What is the molecular weight of Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate?
The molecular weight of Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate is 218.05 g/mol.
Where can I buy Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate?
You can request a quote for Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate 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-((2-aminoethyl)amino)ethyl) ester, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(2-((2-aminoethyl)amino)ethyl) ester, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.