WR 3689
TL;DR: WR 3689 (CAS 20751-90-0) 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-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid
Also Known As: Phosphonol, 2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid, Phosphorothioic acid, S-(2-((3-(methylamino)propyl)amino)ethyl) ester, S-2-(3-methylaminopropylamino)ethylphosphorothioic acid, 2-((3-(Methylamino)propyl)amino)ethanethiol dihydrogen phosphate (ester)
| Molecular Formula | C6H17N2O3PS |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 107.0 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 | 20751-90-0 |
|---|---|
| SMILES | CNCCCNCCSP(=O)(O)O |
| InChIKey | ZGSGBCBFJJASJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
WR 3689 (CAS 20751-90-0), with molecular formula C6H17N2O3PS and molecular weight 228.07 g/mol. IUPAC: 2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid.
Chemical Property Profile of WR 3689
Property Insights of WR 3689
The XLogP value of -3.9 indicates that WR 3689 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 WR 3689. Following Lipinski's Rule of Five, WR 3689 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 WR 3689?
The CAS number of WR 3689 is 20751-90-0.
What is the molecular formula of WR 3689?
The molecular formula of WR 3689 is C6H17N2O3PS.
What is the molecular weight of WR 3689?
The molecular weight of WR 3689 is 228.07 g/mol.
Where can I buy WR 3689?
You can request a quote for WR 3689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WR 3689?
Yes, KEHONG BIO provides custom synthesis services for WR 3689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.