1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt
TL;DR: 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt (CAS 70299-75-1) is a chemical compound with molecular formula C17H31N6O5P and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-ethylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate
Also Known As: 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt, N-Ethyl-N-theophyllinyl-7'-ethylamidophosphate de (trimethylammonium-3)propyle [French], N-Ethyl-N-theophyllinyl-7'-ethylamidophosphate de (trimethylammonium-3)propyle, [2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-ethylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate, BRN 4042880
| Molecular Formula | C17H31N6O5P |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | -0.6631 |
| Topological Polar Surface Area | 114.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.20935 |
| Heavy Atoms | 29 |
| Complexity | 1018.2058 |
Chemical Identifiers
| CAS Number | 70299-75-1 |
|---|---|
| SMILES | CCN(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)P(=O)([O-])OCCC[N+](C)(C)C |
Product Overview
1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt (CAS 70299-75-1), with molecular formula C17H31N6O5P and molecular weight 430.21 g/mol. IUPAC: [2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-ethylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate.
Chemical Property Profile of 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt
Property Insights of 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt
The XLogP value of -0.6631 indicates that 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt. Following Lipinski's Rule of Five, 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt has 0 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 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt?
The CAS number of 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt is 70299-75-1.
What is the molecular formula of 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt?
The molecular formula of 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt is C17H31N6O5P.
What is the molecular weight of 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt?
The molecular weight of 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt is 430.21 g/mol.
Where can I buy 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt?
You can request a quote for 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.