Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate
TL;DR: Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate (CAS 63717-22-6) is a chemical compound with molecular formula C8H23N2O4PS and molecular weight 274.1116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-aminohexylamino)ethylsulfanylphosphonic acid;hydrate
Also Known As: S-2-((6-Aminohexyl)amino)ethyl dihydrogen phosphorothioate, Ethanethiol, 2-((6-aminohexyl)amino)-, dihydrogen phosphorothioate (ester) hydrate, Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate, 2-(6-aminohexylamino)ethylsulfanylphosphonic acid hydrate, Ethanethiol, 2-((6-aminohexyl)amino)-, dihydrogen phosphate (ester) hydrate
Technical Specifications
| Molecular Formula | C8H23N2O4PS |
| Molecular Weight | 274.1116 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 274.1116 Da |
| Heavy Atoms | 16 |
| Complexity | 189.0 |
| SMILES | C(CCCNCCSP(=O)(O)O)CCN.O |
| InChIKey | BWBRTQPXRCBQSJ-UHFFFAOYSA-N |
Chemical Property Profile of Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate
Property Insights of Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(2-((6-aminohexyl)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
What is the CAS number of Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate?
The CAS number of Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate is 63717-22-6.
What is the molecular formula of Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate?
The molecular formula of Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate is C8H23N2O4PS.
What is the molecular weight of Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate?
The molecular weight of Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate is 274.1116 g/mol.
Where can I buy Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate?
You can request a quote for Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate?
Yes, CoreyChem provides custom synthesis services for Phosphorothioic acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.