![8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione structure](/static/products/896/896809-51-1.png)
8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
TL;DR: 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 896809-51-1) is a chemical compound with molecular formula C22H26N6O3 and molecular weight 422.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-benzyl-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione, 8-benzyl-1,7-dimethyl-3-(2-morpholinoethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C22H26N6O3 |
|---|---|
| Molecular Weight | 422.21 g/mol |
| LogP | 0.83832 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.20663 |
| Heavy Atoms | 31 |
| Complexity | 1355.6553 |
Chemical Identifiers
| CAS Number | 896809-51-1 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)N(C3=O)CCN5CCOCC5)C |
Product Overview
8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 896809-51-1), with molecular formula C22H26N6O3 and molecular weight 422.21 g/mol. IUPAC: 6-benzyl-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Property Insights of 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
The XLogP value of 0.83832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione. Following Lipinski's Rule of Five, 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione has 0 hydrogen bond donor(s) and 5 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-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The CAS number of 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 896809-51-1.
What is the molecular formula of 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular formula of 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is C22H26N6O3.
What is the molecular weight of 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular weight of 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 422.21 g/mol.
Where can I buy 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
You can request a quote for 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-benzyl-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.