1-Methyl-3-nitro-1H-indole
TL;DR: 1-Methyl-3-nitro-1H-indole (CAS 36728-89-9) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-nitroindole
Also Known As: 1-Methyl-3-nitro-1H-indole, 1-methyl-3-nitroindole, 3-Nitro-1-methylindole, N-methyl-3-nitroindole, 1-methyl-3-nitro-indole
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 36728-89-9 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)[N+](=O)[O-] |
| InChIKey | SDNGVFXIFVLBAJ-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-nitro-1H-indole (CAS 36728-89-9), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 1-methyl-3-nitroindole.
Chemical Property Profile of 1-Methyl-3-nitro-1H-indole
Property Insights of 1-Methyl-3-nitro-1H-indole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-nitro-1H-indole. With a topological polar surface area (TPSA) of 50.8 Ų, 1-Methyl-3-nitro-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-nitro-1H-indole has 0 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 1-Methyl-3-nitro-1H-indole?
The CAS number of 1-Methyl-3-nitro-1H-indole is 36728-89-9.
What is the molecular formula of 1-Methyl-3-nitro-1H-indole?
The molecular formula of 1-Methyl-3-nitro-1H-indole is C9H8N2O2.
What is the molecular weight of 1-Methyl-3-nitro-1H-indole?
The molecular weight of 1-Methyl-3-nitro-1H-indole is 176.06 g/mol.
Where can I buy 1-Methyl-3-nitro-1H-indole?
You can request a quote for 1-Methyl-3-nitro-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-nitro-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-nitro-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.