![2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide structure](/static/products/516/516455-75-7.png)
2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide
TL;DR: 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide (CAS 516455-75-7) is a chemical compound with molecular formula C25H28N6O3 and molecular weight 460.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-dimethyl-2,6-dioxo-8-(2-phenylethylamino)purin-7-yl]-N-(2-phenylethyl)acetamide
Also Known As: 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide, AJ-292/42034269, 2-[1,3-dimethyl-2,6-dioxo-8-(phenethylamino)purin-7-yl]-N-phenethylacetamide, 2-(1,3-dimethyl-2,6-dioxo-8-(phenethylamino)-2,3-dihydro-1H-purin-7(6H)-yl)-N-phenethylacetamide
| Molecular Formula | C25H28N6O3 |
|---|---|
| Molecular Weight | 460.22 g/mol |
| LogP | 1.4472 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.2223 |
| Heavy Atoms | 34 |
| Complexity | 1404.1079 |
Chemical Identifiers
| CAS Number | 516455-75-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4 |
Product Overview
2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide (CAS 516455-75-7), with molecular formula C25H28N6O3 and molecular weight 460.22 g/mol. IUPAC: 2-[1,3-dimethyl-2,6-dioxo-8-(2-phenylethylamino)purin-7-yl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide
Property Insights of 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide
The XLogP value of 1.4472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide. Following Lipinski's Rule of Five, 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide has 2 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 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide?
The CAS number of 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide is 516455-75-7.
What is the molecular formula of 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide?
The molecular formula of 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide is C25H28N6O3.
What is the molecular weight of 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide?
The molecular weight of 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide is 460.22 g/mol.
Where can I buy 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide?
You can request a quote for 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{1,3-dimethyl-2,6-dioxo-8-[(2-phenylethyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-(2-phenylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.