Nitrovinylindole
TL;DR: Nitrovinylindole (CAS 1306669-94-2) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitroethenyl)-1H-indole
Also Known As: nitrovinylindole, NCIStruc1_000132, NCIStruc2_000264, 2-(2-nitroethenyl)-1h-indole, 2-(2-nitrovinyl)-1H-indole
| Molecular Formula | C10H8N2O2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.05858 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 1306669-94-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N2)C=C[N+](=O)[O-] |
| InChIKey | ZUQXVMIIRIIGTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitrovinylindole (CAS 1306669-94-2), with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol. IUPAC: 2-(2-nitroethenyl)-1H-indole.
Chemical Property Profile of Nitrovinylindole
Property Insights of Nitrovinylindole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrovinylindole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrovinylindole. Following Lipinski's Rule of Five, Nitrovinylindole 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 Nitrovinylindole?
The CAS number of Nitrovinylindole is 1306669-94-2.
What is the molecular formula of Nitrovinylindole?
The molecular formula of Nitrovinylindole is C10H8N2O2.
What is the molecular weight of Nitrovinylindole?
The molecular weight of Nitrovinylindole is 188.06 g/mol.
Where can I buy Nitrovinylindole?
You can request a quote for Nitrovinylindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrovinylindole?
Yes, KEHONG BIO provides custom synthesis services for Nitrovinylindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.