3-Ethyl-5-nitro-1H-indole-2-carboxylic acid
TL;DR: 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid (CAS 446830-63-3) 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.
3-ethyl-5-nitro-1H-indole-2-carboxylic acid
Also Known As: 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid, ethyl 5-Nitro-2-carboxy-indole, BAS 05150759, 2'-METHOXY-BIPHENYL-2-YLAMINE, 3-ethyl-5-nitroindole-2-carboxylic acid
| Molecular Formula | C11H10N2O4 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 2.3367 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06406 |
| Heavy Atoms | 17 |
| Complexity | 615.2041 |
Chemical Identifiers
| CAS Number | 446830-63-3 |
|---|---|
| SMILES | CCC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
3-Ethyl-5-nitro-1H-indole-2-carboxylic acid (CAS 446830-63-3), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: 3-ethyl-5-nitro-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid
Property Insights of 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid
The XLogP value of 2.3367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 3 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 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid?
The CAS number of 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid is 446830-63-3.
What is the molecular formula of 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid?
The molecular formula of 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid is C11H10N2O4.
What is the molecular weight of 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid?
The molecular weight of 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid is 234.06 g/mol.
Where can I buy 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid?
You can request a quote for 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5-nitro-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.