S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate
TL;DR: S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate (CAS 20709-37-9) is a chemical compound with molecular formula C6H17N2O3PS and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminobutylamino)ethylsulfanylphosphonic acid
Also Known As: S-(2-( phosphorothioate, WR 2822, S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate, 2-(4-aminobutylamino)ethylsulfanylphosphonic acid, S-2-((4-Aminobutyl)amino)ethyl dihydrogen phosphorothioate
| Molecular Formula | C6H17N2O3PS |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.06975 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 20709-37-9 |
|---|---|
| SMILES | C(CCNCCSP(=O)(O)O)CN |
| InChIKey | ZFRBZRBCVWXTHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate (CAS 20709-37-9), with molecular formula C6H17N2O3PS and molecular weight 228.07 g/mol. IUPAC: 2-(4-aminobutylamino)ethylsulfanylphosphonic acid.
Chemical Property Profile of S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate
Property Insights of S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate
The XLogP value of -4.1 indicates that S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate. Following Lipinski's Rule of Five, S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate 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 S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate?
The CAS number of S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate is 20709-37-9.
What is the molecular formula of S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate?
The molecular formula of S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate is C6H17N2O3PS.
What is the molecular weight of S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate?
The molecular weight of S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate is 228.07 g/mol.
Where can I buy S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate?
You can request a quote for S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.