Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester
TL;DR: Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester (CAS 56643-49-3) is a chemical compound with molecular formula C6H17N2O4PS and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-aminopropylamino)-2-hydroxypropyl]sulfanylphosphonic acid
Also Known As: s-{3-[(3-aminopropyl)amino]-2-hydroxypropyl} dihydrogen phosphorothioate, Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester, S-3-(omega-Aminopropylamino)-2-hydroxypropyl dihydrogen phosphorothioate, [3-(3-aminopropylamino)-2-hydroxypropyl]sulfanylphosphonic acid, ({3-[(3-aminopropyl)amino]-2-hydroxypropyl}sulfanyl)phosphonic acid
| Molecular Formula | C6H17N2O4PS |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | -5.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 244.06467 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 56643-49-3 |
|---|---|
| SMILES | C(CN)CNCC(CSP(=O)(O)O)O |
| InChIKey | NMTZXNJYQSPJGV-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester (CAS 56643-49-3), with molecular formula C6H17N2O4PS and molecular weight 244.06 g/mol. IUPAC: [3-(3-aminopropylamino)-2-hydroxypropyl]sulfanylphosphonic acid.
Chemical Property Profile of Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester
Property Insights of Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester
The XLogP value of -5.1 indicates that Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl 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 Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester?
The CAS number of Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester is 56643-49-3.
What is the molecular formula of Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester?
The molecular formula of Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester is C6H17N2O4PS.
What is the molecular weight of Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester?
The molecular weight of Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester is 244.06 g/mol.
Where can I buy Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester?
You can request a quote for Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester 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-aminopropylamino)-2-hydroxy)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.