2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide
TL;DR: 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide (CAS 578735-29-2) is a chemical compound with molecular formula C16H25N7O4 and molecular weight 379.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
Also Known As: 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide, F0634-0514, 2-(8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide, 2-[8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide, 2-(8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
| Molecular Formula | C16H25N7O4 |
|---|---|
| Molecular Weight | 379.20 g/mol |
| LogP | -2.9711 |
| Topological Polar Surface Area | 131.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1968 |
| Heavy Atoms | 27 |
| Complexity | 965.77484 |
Chemical Identifiers
| CAS Number | 578735-29-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CCO)CC(=O)N |
Product Overview
2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide (CAS 578735-29-2), with molecular formula C16H25N7O4 and molecular weight 379.20 g/mol. IUPAC: 2-[8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide.
Chemical Property Profile of 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide
Property Insights of 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide
The XLogP value of -2.9711 indicates that 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide. Following Lipinski's Rule of Five, 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide 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 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide?
The CAS number of 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide is 578735-29-2.
What is the molecular formula of 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide?
The molecular formula of 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide is C16H25N7O4.
What is the molecular weight of 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide?
The molecular weight of 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide is 379.20 g/mol.
Where can I buy 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide?
You can request a quote for 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.