(E)-2-methyl-3-(2-nitrovinyl)-1H-indole
TL;DR: (E)-2-methyl-3-(2-nitrovinyl)-1H-indole (CAS 122631-40-7) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[(E)-2-nitroethenyl]-1H-indole
Also Known As: Labindole B, (E)-2-methyl-3-(2-nitrovinyl)-1H-indole, 2-METHYL-3-(2-NITROVINYL)-1H-INDOLE, 2-methyl-3-[(E)-2-nitroethenyl]-1H-indole, 2-methyl-3-(2-nitroethenyl)-1h-indole
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 122631-40-7 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)/C=C/[N+](=O)[O-] |
| InChIKey | DTSVTKXSWKXFDC-VOTSOKGWSA-N |
Product Overview
(E)-2-methyl-3-(2-nitrovinyl)-1H-indole (CAS 122631-40-7), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 2-methyl-3-[(E)-2-nitroethenyl]-1H-indole.
Chemical Property Profile of (E)-2-methyl-3-(2-nitrovinyl)-1H-indole
Property Insights of (E)-2-methyl-3-(2-nitrovinyl)-1H-indole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-methyl-3-(2-nitrovinyl)-1H-indole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-methyl-3-(2-nitrovinyl)-1H-indole. Following Lipinski's Rule of Five, (E)-2-methyl-3-(2-nitrovinyl)-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 (E)-2-methyl-3-(2-nitrovinyl)-1H-indole?
The CAS number of (E)-2-methyl-3-(2-nitrovinyl)-1H-indole is 122631-40-7.
What is the molecular formula of (E)-2-methyl-3-(2-nitrovinyl)-1H-indole?
The molecular formula of (E)-2-methyl-3-(2-nitrovinyl)-1H-indole is C11H10N2O2.
What is the molecular weight of (E)-2-methyl-3-(2-nitrovinyl)-1H-indole?
The molecular weight of (E)-2-methyl-3-(2-nitrovinyl)-1H-indole is 202.07 g/mol.
Where can I buy (E)-2-methyl-3-(2-nitrovinyl)-1H-indole?
You can request a quote for (E)-2-methyl-3-(2-nitrovinyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-methyl-3-(2-nitrovinyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-methyl-3-(2-nitrovinyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.