Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate
TL;DR: Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate (CAS 6408-51-1) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1H-indol-3-yl)-2-nitropropanoate
Also Known As: Alizarin Astrol, ethyl 3-(1h-indol-3-yl)-2-nitropropanoate, Ethyl 3-(3-indolyl)2-nitropropionate, ethyl a-nitro-b-(3-indolyl)propionate, J2.456.927F
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 6408-51-1 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CNC2=CC=CC=C21)[N+](=O)[O-] |
| InChIKey | TWFYELOBENMNHC-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate (CAS 6408-51-1), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: ethyl 3-(1H-indol-3-yl)-2-nitropropanoate.
Chemical Property Profile of Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate
Property Insights of Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate. Following Lipinski's Rule of Five, Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate has 1 hydrogen bond donor(s) and 4 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-(1h-indol-3-yl)-2-nitropropanoate?
The CAS number of Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate is 6408-51-1.
What is the molecular formula of Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate?
The molecular formula of Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate is C13H14N2O4.
What is the molecular weight of Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate?
The molecular weight of Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate is 262.10 g/mol.
Where can I buy Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate?
You can request a quote for Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.