8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 849912-98-7) is a chemical compound with molecular formula C23H34N6O4 and molecular weight 458.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(diethylamino)ethylamino]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(2-diethylaminoethylamino)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione, 8-(2-diethylaminoethylamino)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione, 8-{[2-(DIETHYLAMINO)ETHYL]AMINO}-7-[2-HYDROXY-3-(3-METHYLPHENOXY)PROPYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C23H34N6O4 |
|---|---|
| Molecular Weight | 458.26 g/mol |
| LogP | 0.93572 |
| Topological Polar Surface Area | 106.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 458.26416 |
| Heavy Atoms | 33 |
| Complexity | 1208.1075 |
Chemical Identifiers
| CAS Number | 849912-98-7 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(N1CC(COC3=CC=CC(=C3)C)O)C(=O)N(C(=O)N2C)C |
Product Overview
8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 849912-98-7), with molecular formula C23H34N6O4 and molecular weight 458.26 g/mol. IUPAC: 8-[2-(diethylamino)ethylamino]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.93572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 106.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 2 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-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 849912-98-7.
What is the molecular formula of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C23H34N6O4.
What is the molecular weight of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 458.26 g/mol.
Where can I buy 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.