Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate
TL;DR: Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate (CAS 22120-89-4) is a chemical compound with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate
Also Known As: Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate, 4063AJ, 3-formyl-5-nitro-1H-indole-2-carboxylic acid ethyl ester, Ethyl3-formyl-5-nitro-1H-indole-2-carboxylate, 1H-Indole-2-carboxylicacid, 3-formyl-5-nitro-, ethyl ester
| Molecular Formula | C12H10N2O5 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 2.0653 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.05896 |
| Heavy Atoms | 19 |
| Complexity | 674.05475 |
Chemical Identifiers
| CAS Number | 22120-89-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C=O |
Product Overview
Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate (CAS 22120-89-4), with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol. IUPAC: ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate
Property Insights of Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate
The XLogP value of 2.0653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate has 1 hydrogen bond donor(s) and 5 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-formyl-5-nitro-1H-indole-2-carboxylate?
The CAS number of Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate is 22120-89-4.
What is the molecular formula of Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate?
The molecular formula of Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate is C12H10N2O5.
What is the molecular weight of Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate?
The molecular weight of Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate is 262.06 g/mol.
Where can I buy Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate?
You can request a quote for Ethyl 3-formyl-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-formyl-5-nitro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-formyl-5-nitro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.