Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate
TL;DR: Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate (CAS 63717-29-3) is a chemical compound with molecular formula C6H21N2O5PS and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-aminopropylamino)propylsulfanylphosphonic acid;dihydrate
Also Known As: S-3-((3-Aminopropyl)amino)propyl dihydrogen phosphorothioate dihydrate, Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate, Propanethiol, 3-((3-aminopropyl)amino)-, dihydrogen phosphate (ester) dihydrate, Phosphorothioic acid, S-ester with 3-((3-aminopropyl)amino)propanethiol, dihydrate, 3-(3-aminopropylamino)propylsulfanylphosphonic acid dihydrate
| Molecular Formula | C6H21N2O5PS |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | -1.51 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.09088 |
| Heavy Atoms | 15 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 63717-29-3 |
|---|---|
| SMILES | C(CN)CNCCCSP(=O)(O)O.O.O |
| InChIKey | VOQLXJOTGDNQST-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate (CAS 63717-29-3), with molecular formula C6H21N2O5PS and molecular weight 264.09 g/mol. IUPAC: 3-(3-aminopropylamino)propylsulfanylphosphonic acid;dihydrate.
Chemical Property Profile of Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate
Property Insights of Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate
The XLogP value of -1.51 indicates that Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate?
The CAS number of Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate is 63717-29-3.
What is the molecular formula of Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate?
The molecular formula of Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate is C6H21N2O5PS.
What is the molecular weight of Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate?
The molecular weight of Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate is 264.09 g/mol.
Where can I buy Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate?
You can request a quote for Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate 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-(3-((3-aminopropyl)amino)propyl) ester, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.