8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 850735-90-9) is a chemical compound with molecular formula C22H32N6O4 and molecular weight 444.25 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-phenoxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F1687-0034, 8-(2-diethylaminoethylamino)-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-purine-2,6-dione, 8-(2-diethylaminoethylamino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione, 8-[2-(diethylamino)ethylamino]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H32N6O4 |
|---|---|
| Molecular Weight | 444.25 g/mol |
| LogP | 0.6273 |
| Topological Polar Surface Area | 106.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 444.2485 |
| Heavy Atoms | 32 |
| Complexity | 1147.168 |
Chemical Identifiers
| CAS Number | 850735-90-9 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C |
Product Overview
8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 850735-90-9), with molecular formula C22H32N6O4 and molecular weight 444.25 g/mol. IUPAC: 8-[2-(diethylamino)ethylamino]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.6273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-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-phenoxypropyl)-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-phenoxypropyl)-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-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 850735-90-9.
What is the molecular formula of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H32N6O4.
What is the molecular weight of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 444.25 g/mol.
Where can I buy 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-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-phenoxypropyl)-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-phenoxypropyl)-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-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.