8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 5424-96-4) is a chemical compound with molecular formula C19H26ClN6O2+ and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl-dimethyl-[2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl]azanium
Also Known As: 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione, (4-chlorophenyl)methyl-dimethyl-[2-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)amino]ethyl]ammonium, (4-chlorophenyl)methyl-dimethyl-[2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl]azanium, 8-((2-((4-Chlorobenzyl)(dimethyl)-.lambda.~5~-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H26ClN6O2+ |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.18057 |
| Heavy Atoms | 28 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 5424-96-4 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC[N+](C)(C)CC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C |
| InChIKey | QYSGUUXLIOPHOG-UHFFFAOYSA-O |
Product Overview
8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 5424-96-4), with molecular formula C19H26ClN6O2+ and molecular weight 405.18 g/mol. IUPAC: (4-chlorophenyl)methyl-dimethyl-[2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl]azanium.
Chemical Property Profile of 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-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 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is 5424-96-4.
What is the molecular formula of 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is C19H26ClN6O2+.
What is the molecular weight of 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is 405.18 g/mol.
Where can I buy 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-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 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-((4-Chlorobenzyl)(dimethyl)-lambda(5)-azanyl)ethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.