3-Ethyl-2-methyl-5-nitroindole
TL;DR: 3-Ethyl-2-methyl-5-nitroindole (CAS 6639-59-4) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methyl-5-nitro-1H-indole
Also Known As: 3-ethyl-2-methyl-5-nitro-1h-indole, Maybridge1_006238, 1H-Indole, 3-ethyl-2-methyl-5-nitro-, 2-methyl-3-ethyl-5-nitroindole, 3-ETHYL-2-METHYL-5-NITROINDOLE
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 6639-59-4 |
|---|---|
| SMILES | CCC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C |
| InChIKey | QMERMWACWLHWSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-2-methyl-5-nitroindole (CAS 6639-59-4), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: 3-ethyl-2-methyl-5-nitro-1H-indole.
Chemical Property Profile of 3-Ethyl-2-methyl-5-nitroindole
Property Insights of 3-Ethyl-2-methyl-5-nitroindole
The XLogP value of 3.1 indicates that 3-Ethyl-2-methyl-5-nitroindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-2-methyl-5-nitroindole. Following Lipinski's Rule of Five, 3-Ethyl-2-methyl-5-nitroindole has 1 hydrogen bond donor(s) and 2 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-2-methyl-5-nitroindole?
The CAS number of 3-Ethyl-2-methyl-5-nitroindole is 6639-59-4.
What is the molecular formula of 3-Ethyl-2-methyl-5-nitroindole?
The molecular formula of 3-Ethyl-2-methyl-5-nitroindole is C11H12N2O2.
What is the molecular weight of 3-Ethyl-2-methyl-5-nitroindole?
The molecular weight of 3-Ethyl-2-methyl-5-nitroindole is 204.09 g/mol.
Where can I buy 3-Ethyl-2-methyl-5-nitroindole?
You can request a quote for 3-Ethyl-2-methyl-5-nitroindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-methyl-5-nitroindole?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-methyl-5-nitroindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.