6-Nitro-1H-indole
TL;DR: 6-Nitro-1H-indole (CAS 4769-96-4) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1H-indole
Also Known As: 6-Nitroindole, 6-Nitro-1H-indole, 1H-Indole, 6-nitro-, null, 6-nitro-indole
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 4769-96-4 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CN2)[N+](=O)[O-] |
| InChIKey | PSWCIARYGITEOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-1H-indole (CAS 4769-96-4), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 6-nitro-1H-indole.
Chemical Property Profile of 6-Nitro-1H-indole
Property Insights of 6-Nitro-1H-indole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-1H-indole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-1H-indole. Following Lipinski's Rule of Five, 6-Nitro-1H-indole 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 6-Nitro-1H-indole?
The CAS number of 6-Nitro-1H-indole is 4769-96-4.
What is the molecular formula of 6-Nitro-1H-indole?
The molecular formula of 6-Nitro-1H-indole is C8H6N2O2.
What is the molecular weight of 6-Nitro-1H-indole?
The molecular weight of 6-Nitro-1H-indole is 162.04 g/mol.
Where can I buy 6-Nitro-1H-indole?
You can request a quote for 6-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 6-Nitro-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.