Ethyl 6-nitro-1H-indole-2-carboxylate
TL;DR: Ethyl 6-nitro-1H-indole-2-carboxylate (CAS 16792-45-3) 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 6-nitro-1H-indole-2-carboxylate
Also Known As: Ethyl 6-nitro-1H-indole-2-carboxylate, ethyl 6-nitroindole-2-carboxylate, 6-Nitro-2-carbethoxyindole, 6-Nitro-2-carboethoxyindole, Di-p-anisoyl-D-tartaric acid
| 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 | 16792-45-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | SOMZLSPJSSDTAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6-nitro-1H-indole-2-carboxylate (CAS 16792-45-3), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: ethyl 6-nitro-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 6-nitro-1H-indole-2-carboxylate
Property Insights of Ethyl 6-nitro-1H-indole-2-carboxylate
The XLogP value of 3.0 indicates that Ethyl 6-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 6-nitro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-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 6-nitro-1H-indole-2-carboxylate?
The CAS number of Ethyl 6-nitro-1H-indole-2-carboxylate is 16792-45-3.
What is the molecular formula of Ethyl 6-nitro-1H-indole-2-carboxylate?
The molecular formula of Ethyl 6-nitro-1H-indole-2-carboxylate is C11H10N2O4.
What is the molecular weight of Ethyl 6-nitro-1H-indole-2-carboxylate?
The molecular weight of Ethyl 6-nitro-1H-indole-2-carboxylate is 234.06 g/mol.
Where can I buy Ethyl 6-nitro-1H-indole-2-carboxylate?
You can request a quote for Ethyl 6-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 6-nitro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-nitro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.