![ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate structure](/static/products/848/848923-77-3.png)
ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate
TL;DR: ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate (CAS 848923-77-3) is a chemical compound with molecular formula C27H32N4O6 and molecular weight 508.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-ethoxy-1H-indole-2-carboxylate
Also Known As: ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate, ethyl 3-(2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)acetamido)-5-ethoxy-1H-indole-2-carboxylate, ethyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-ethoxy-1H-indole-2-carboxylate
| Molecular Formula | C27H32N4O6 |
|---|---|
| Molecular Weight | 508.23 g/mol |
| LogP | 3.2283 |
| Topological Polar Surface Area | 105.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.23218 |
| Heavy Atoms | 37 |
| Complexity | 1281.3821 |
Chemical Identifiers
| CAS Number | 848923-77-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OCC |
Product Overview
ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate (CAS 848923-77-3), with molecular formula C27H32N4O6 and molecular weight 508.23 g/mol. IUPAC: ethyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-ethoxy-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate
Property Insights of ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate
The XLogP value of 3.2283 indicates that ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate has 2 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 ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate?
The CAS number of ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate is 848923-77-3.
What is the molecular formula of ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate is C27H32N4O6.
What is the molecular weight of ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate is 508.23 g/mol.
Where can I buy ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-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 ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-ethoxy-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.