Ethyl 5-nitro-1H-indole-2-carboxylate
TL;DR: Ethyl 5-nitro-1H-indole-2-carboxylate (CAS 220239-64-5) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-nitro-1H-indole-2-carboxylate
Also Known As: ethyl 5-nitroindole-2-carboxylate, ethyl 5-nitro-1H-indole-2-carboxylate, cis-4-Octene, ethyl-5-nitroindole-2-carboxylate, 5-nitroindole-2-carboxylic acid ethyl ester
| Molecular Formula | C11H10N2O4 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06406 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 220239-64-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-] |
| InChIKey | DVFJMQCNICEPAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-nitro-1H-indole-2-carboxylate (CAS 220239-64-5), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: ethyl 5-nitro-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 5-nitro-1H-indole-2-carboxylate
Property Insights of Ethyl 5-nitro-1H-indole-2-carboxylate
The XLogP value of 3.0 indicates that Ethyl 5-nitro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-nitro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-nitro-1H-indole-2-carboxylate 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 5-nitro-1H-indole-2-carboxylate?
The CAS number of Ethyl 5-nitro-1H-indole-2-carboxylate is 220239-64-5.
What is the molecular formula of Ethyl 5-nitro-1H-indole-2-carboxylate?
The molecular formula of Ethyl 5-nitro-1H-indole-2-carboxylate is C11H10N2O4.
What is the molecular weight of Ethyl 5-nitro-1H-indole-2-carboxylate?
The molecular weight of Ethyl 5-nitro-1H-indole-2-carboxylate is 234.06 g/mol.
Where can I buy Ethyl 5-nitro-1H-indole-2-carboxylate?
You can request a quote for Ethyl 5-nitro-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 5-nitro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-nitro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.