![ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate structure](/static/products/369/369395-34-6.png)
ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate
TL;DR: ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate (CAS 369395-34-6) is a chemical compound with molecular formula C26H29FN4O5 and molecular weight 496.21 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]propanoylamino]-5-fluoro-1H-indole-2-carboxylate
Also Known As: ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate, ethyl 3-(2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)propanamido)-5-fluoro-1H-indole-2-carboxylate, ethyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-fluoro-1H-indole-2-carboxylate
| Molecular Formula | C26H29FN4O5 |
|---|---|
| Molecular Weight | 496.21 g/mol |
| LogP | 3.3572 |
| Topological Polar Surface Area | 96.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.2122 |
| Heavy Atoms | 36 |
| Complexity | 1284.8203 |
Chemical Identifiers
| CAS Number | 369395-34-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate (CAS 369395-34-6), with molecular formula C26H29FN4O5 and molecular weight 496.21 g/mol. IUPAC: ethyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate
Property Insights of ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 3.3572 indicates that ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate 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 ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate?
The CAS number of ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate is 369395-34-6.
What is the molecular formula of ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate is C26H29FN4O5.
What is the molecular weight of ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate is 496.21 g/mol.
Where can I buy ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-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-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.