Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)
TL;DR: Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester) (CAS 64192-82-1) is a chemical compound with molecular formula C5H16N3O3PS and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-diaminopropylamino)ethylsulfanylphosphonic acid
Also Known As: 3-Methyl-1,5-pentanediyl diacrylate, Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester), 2-(3,3-diaminopropylamino)ethylsulfanylphosphonic acid, S-{2-[(3,3-Diaminopropyl)amino]ethyl} dihydrogen phosphorothioate
| Molecular Formula | C5H16N3O3PS |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 229.065 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 64192-82-1 |
|---|---|
| SMILES | C(CNCCSP(=O)(O)O)C(N)N |
| InChIKey | VEAZWYXAMHQSAW-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester) (CAS 64192-82-1), with molecular formula C5H16N3O3PS and molecular weight 229.06 g/mol. IUPAC: 2-(3,3-diaminopropylamino)ethylsulfanylphosphonic acid.
Chemical Property Profile of Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)
Property Insights of Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)
The XLogP value of -5.2 indicates that Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester) 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 Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)?
The CAS number of Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester) is 64192-82-1.
What is the molecular formula of Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)?
The molecular formula of Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester) is C5H16N3O3PS.
What is the molecular weight of Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)?
The molecular weight of Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester) is 229.06 g/mol.
Where can I buy Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)?
You can request a quote for Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-((3,3-diaminopropyl)amino)-, dihydrogen phosphate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.