ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate
TL;DR: ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate (CAS 796879-69-1) 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-ethyl-5-nitro-1H-indole-2-carboxylate
Also Known As: ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 2.8152 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 645.3758 |
Chemical Identifiers
| CAS Number | 796879-69-1 |
|---|---|
| SMILES | CCC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OCC |
Product Overview
ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate (CAS 796879-69-1), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate
Property Insights of ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate
The XLogP value of 2.8152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-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 3-ethyl-5-nitro-1H-indole-2-carboxylate?
The CAS number of ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate is 796879-69-1.
What is the molecular formula of ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate is C13H14N2O4.
What is the molecular weight of ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate is 262.10 g/mol.
Where can I buy ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-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 3-ethyl-5-nitro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-ethyl-5-nitro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.