![methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate structure](/static/products/371/371951-07-4.png)
methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate
TL;DR: methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate (CAS 371951-07-4) is a chemical compound with molecular formula C25H30N8O5 and molecular weight 522.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[4-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate
Also Known As: methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate, methyl 3-(2-(4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetamido)-5-methyl-1H-indole-2-carboxylate, methyl 3-[[2-[4-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate
| Molecular Formula | C25H30N8O5 |
|---|---|
| Molecular Weight | 522.23 g/mol |
| LogP | 0.78022 |
| Topological Polar Surface Area | 150.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.2339 |
| Heavy Atoms | 38 |
| Complexity | 1668.9791 |
Chemical Identifiers
| CAS Number | 371951-07-4 |
|---|---|
| SMILES | CCN1C2=C(N=C1N3CCN(CC3)CC(=O)NC4=C(NC5=C4C=C(C=C5)C)C(=O)OC)N(C(=O)NC2=O)C |
Product Overview
methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate (CAS 371951-07-4), with molecular formula C25H30N8O5 and molecular weight 522.23 g/mol. IUPAC: methyl 3-[[2-[4-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate
Property Insights of methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate
The XLogP value of 0.78022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate. The TPSA of 150.35 Ų indicates high polarity, suggesting methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate is 371951-07-4.
What is the molecular formula of methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate is C25H30N8O5.
What is the molecular weight of methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate is 522.23 g/mol.
Where can I buy methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.