![2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide structure](/static/products/851/851940-91-5.png)
2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
TL;DR: 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide (CAS 851940-91-5) is a chemical compound with molecular formula C27H31N7O3 and molecular weight 501.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
Also Known As: 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide, 2-[8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide, 2-(8-((4-benzhydrylpiperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide, 2-(8-{[4-(DIPHENYLMETHYL)PIPERAZIN-1-YL]METHYL}-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL)ACETAMIDE, 2-[8-(4-Benzhydryl-piperazin-1-ylmethyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl]-acetamid e
| Molecular Formula | C27H31N7O3 |
|---|---|
| Molecular Weight | 501.25 g/mol |
| LogP | 0.8262 |
| Topological Polar Surface Area | 111.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.24884 |
| Heavy Atoms | 37 |
| Complexity | 1492.2598 |
Chemical Identifiers
| CAS Number | 851940-91-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)N |
Product Overview
2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide (CAS 851940-91-5), with molecular formula C27H31N7O3 and molecular weight 501.25 g/mol. IUPAC: 2-[8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide.
Chemical Property Profile of 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Property Insights of 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
The XLogP value of 0.8262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide. The TPSA of 111.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide. Following Lipinski's Rule of Five, 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
The CAS number of 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is 851940-91-5.
What is the molecular formula of 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
The molecular formula of 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is C27H31N7O3.
What is the molecular weight of 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
The molecular weight of 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is 501.25 g/mol.
Where can I buy 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
You can request a quote for 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-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-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.