Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate
TL;DR: Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate (CAS 70299-74-0) is a chemical compound with molecular formula C16H29N6O5P and molecular weight 416.19 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-methylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate
Also Known As: Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate, N-Methyl N-theophyllinyl-7' ethylamidophosphate de (trimethylammonium-3) propyle [French], N-Methyl N-theophyllinyl-7' ethylamidophosphate de (trimethylammonium-3) propyle, [2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-methylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate, BRN 4040685
| Molecular Formula | C16H29N6O5P |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | -1.0532 |
| Topological Polar Surface Area | 114.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.1937 |
| Heavy Atoms | 28 |
| Complexity | 1001.8343 |
Chemical Identifiers
| CAS Number | 70299-74-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)P(=O)([O-])OCCC[N+](C)(C)C |
Product Overview
Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate (CAS 70299-74-0), with molecular formula C16H29N6O5P and molecular weight 416.19 g/mol. IUPAC: [2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-methylamino]-[3-(trimethylazaniumyl)propoxy]phosphinate.
Chemical Property Profile of Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate
Property Insights of Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate
The XLogP value of -1.0532 indicates that Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate 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 Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate. Following Lipinski's Rule of Five, Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate 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 Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate?
The CAS number of Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate is 70299-74-0.
What is the molecular formula of Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate?
The molecular formula of Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate is C16H29N6O5P.
What is the molecular weight of Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate?
The molecular weight of Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate is 416.19 g/mol.
Where can I buy Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate?
You can request a quote for Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.