![1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]- structure](/static/products/1226/122631-41-8.webp)
1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-
TL;DR: 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]- (CAS 122631-41-8) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-3-(2-nitroethenyl)indole
Also Known As: 1,2-dimethyl-3-(2-nitrovinyl)indole, 1,2-dimethyl-3-(2-nitroethenyl)indole, 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-, 1,2-Dimethyl-3-(2-nitroethen-1-yl)-1H-indole
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.73412 |
| Topological Polar Surface Area | 48.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 581.9614 |
Chemical Identifiers
| CAS Number | 122631-41-8 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1C)C=C[N+](=O)[O-] |
Product Overview
1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]- (CAS 122631-41-8), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 1,2-dimethyl-3-(2-nitroethenyl)indole.
Chemical Property Profile of 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-
Property Insights of 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-
The XLogP value of 2.73412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-. With a topological polar surface area (TPSA) of 48.07 Ų, 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]- 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 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-?
The CAS number of 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]- is 122631-41-8.
What is the molecular formula of 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-?
The molecular formula of 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]- is C12H12N2O2.
What is the molecular weight of 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-?
The molecular weight of 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]- is 216.09 g/mol.
Where can I buy 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-?
You can request a quote for 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.