Ethyl 6-Nitroindole-3-acetate
TL;DR: Ethyl 6-Nitroindole-3-acetate (CAS 501919-82-0) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-nitro-1H-indol-3-yl)acetate
Also Known As: Ethyl 6-Nitroindole-3-acetate, Ethyl6-Nitroindole-3-acetate, ethyl 2-(6-nitro-1H-indol-3-yl)acetate, 2-(6-nitro-1H-indol-3-yl)acetic acid ethyl ester
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 501919-82-0 |
|---|---|
| SMILES | CCOC(=O)CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-] |
| InChIKey | MCCXPRHOEUPTRS-UHFFFAOYSA-N |
Product Overview
Ethyl 6-Nitroindole-3-acetate (CAS 501919-82-0), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: ethyl 2-(6-nitro-1H-indol-3-yl)acetate.
Chemical Property Profile of Ethyl 6-Nitroindole-3-acetate
Property Insights of Ethyl 6-Nitroindole-3-acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-Nitroindole-3-acetate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-Nitroindole-3-acetate. Following Lipinski's Rule of Five, Ethyl 6-Nitroindole-3-acetate 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 6-Nitroindole-3-acetate?
The CAS number of Ethyl 6-Nitroindole-3-acetate is 501919-82-0.
What is the molecular formula of Ethyl 6-Nitroindole-3-acetate?
The molecular formula of Ethyl 6-Nitroindole-3-acetate is C12H12N2O4.
What is the molecular weight of Ethyl 6-Nitroindole-3-acetate?
The molecular weight of Ethyl 6-Nitroindole-3-acetate is 248.08 g/mol.
Where can I buy Ethyl 6-Nitroindole-3-acetate?
You can request a quote for Ethyl 6-Nitroindole-3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-Nitroindole-3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-Nitroindole-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.