1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione (CAS 5442-57-9) is a chemical compound with molecular formula C13H23N6O2+ and molecular weight 295.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl]azanium
Also Known As: 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione, trimethyl-[2-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)amino]ethyl]ammonium, trimethyl-[2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl]azanium, 1,3,7-Trimethyl-8-((2-(trimethyl-.lambda.~5~-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione, N,N,N-Trimethyl-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]ethan-1-aminium
| Molecular Formula | C13H23N6O2+ |
|---|---|
| Molecular Weight | 295.19 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.18826 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 5442-57-9 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC[N+](C)(C)C)N(C(=O)N(C2=O)C)C |
| InChIKey | NAZKUHBUAGDUDE-UHFFFAOYSA-O |
Product Overview
1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione (CAS 5442-57-9), with molecular formula C13H23N6O2+ and molecular weight 295.19 g/mol. IUPAC: trimethyl-[2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl]azanium.
Chemical Property Profile of 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -0.1 indicates that 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 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 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione is 5442-57-9.
What is the molecular formula of 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione is C13H23N6O2+.
What is the molecular weight of 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione is 295.19 g/mol.
Where can I buy 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Trimethyl-8-((2-(trimethyl-lambda(5)-azanyl)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.