![ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate structure](/static/products/386/386751-25-3.png)
ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate
TL;DR: ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate (CAS 386751-25-3) is a chemical compound with molecular formula C22H22FN3O5 and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate
Also Known As: ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate, ethyl 3-(2-(benzo[d][1,3]dioxol-5-yl(ethyl)amino)acetamido)-5-fluoro-1H-indole-2-carboxylate, Ethyl 3-[[2-(benzo[1,3]dioxol-5-yl-ethyl-amino)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate, ethyl 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate
| Molecular Formula | C22H22FN3O5 |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 3.6774 |
| Topological Polar Surface Area | 92.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.15436 |
| Heavy Atoms | 31 |
| Complexity | 1143.622 |
Chemical Identifiers
| CAS Number | 386751-25-3 |
|---|---|
| SMILES | CCN(CC(=O)NC1=C(NC2=C1C=C(C=C2)F)C(=O)OCC)C3=CC4=C(C=C3)OCO4 |
Product Overview
ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate (CAS 386751-25-3), with molecular formula C22H22FN3O5 and molecular weight 427.15 g/mol. IUPAC: ethyl 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate
Property Insights of ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 3.6774 indicates that ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 6 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-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate?
The CAS number of ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate is 386751-25-3.
What is the molecular formula of ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate is C22H22FN3O5.
What is the molecular weight of ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate is 427.15 g/mol.
Where can I buy ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]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-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.