ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate
TL;DR: ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate (CAS 373375-76-9) is a chemical compound with molecular formula C21H26FN3O5 and molecular weight 419.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate
Also Known As: ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate, ethyl 3-(2-(4-(ethoxycarbonyl)piperidin-1-yl)acetamido)-5-fluoro-1H-indole-2-carboxylate, Ethyl 3-[[2-(4-ethoxycarbonyl-1-piperidyl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate, ethyl 3-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate
| Molecular Formula | C21H26FN3O5 |
|---|---|
| Molecular Weight | 419.19 g/mol |
| LogP | 2.6973 |
| Topological Polar Surface Area | 100.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.18564 |
| Heavy Atoms | 30 |
| Complexity | 934.1099 |
Chemical Identifiers
| CAS Number | 373375-76-9 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OCC |
Product Overview
ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate (CAS 373375-76-9), with molecular formula C21H26FN3O5 and molecular weight 419.19 g/mol. IUPAC: ethyl 3-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate
Property Insights of ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 2.6973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate. The TPSA of 100.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}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-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate?
The CAS number of ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate is 373375-76-9.
What is the molecular formula of ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate is C21H26FN3O5.
What is the molecular weight of ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate is 419.19 g/mol.
Where can I buy ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}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-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.