8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 847852-91-9) is a chemical compound with molecular formula C17H20N6O5 and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-methoxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione
Also Known As: 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione, 8-(2-methoxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione, 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H20N6O5 |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 0.4485 |
| Topological Polar Surface Area | 126.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.1495 |
| Heavy Atoms | 28 |
| Complexity | 1142.0299 |
Chemical Identifiers
| CAS Number | 847852-91-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOC)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 847852-91-9), with molecular formula C17H20N6O5 and molecular weight 388.15 g/mol. IUPAC: 8-(2-methoxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.4485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 126.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione has 1 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 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione is 847852-91-9.
What is the molecular formula of 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione is C17H20N6O5.
What is the molecular weight of 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione is 388.15 g/mol.
Where can I buy 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-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-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-methoxyethyl)amino)-1,3-dimethyl-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.