![ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate structure](/static/products/851/851940-59-5.png)
ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
TL;DR: ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate (CAS 851940-59-5) is a chemical compound with molecular formula C29H34N6O4 and molecular weight 530.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Also Known As: ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate, ethyl 2-[8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate, ethyl {8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate, ethyl 2-(8-{[4-(diphenylmethyl)piperazinyl]methyl}-1,3-dimethyl-2,6-dioxo-1,3, 7-trihydropurin-7-yl)acetate
| Molecular Formula | C29H34N6O4 |
|---|---|
| Molecular Weight | 530.26 g/mol |
| LogP | 1.904 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.26416 |
| Heavy Atoms | 39 |
| Complexity | 1527.3635 |
Chemical Identifiers
| CAS Number | 851940-59-5 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate (CAS 851940-59-5), with molecular formula C29H34N6O4 and molecular weight 530.26 g/mol. IUPAC: ethyl 2-[8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
Property Insights of ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
The XLogP value of 1.904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate?
The CAS number of ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate is 851940-59-5.
What is the molecular formula of ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate?
The molecular formula of ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate is C29H34N6O4.
What is the molecular weight of ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate?
The molecular weight of ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate is 530.26 g/mol.
Where can I buy ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate?
You can request a quote for ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.