1-Benzyl-3-(2-nitro-vinyl)-1H-indole
TL;DR: 1-Benzyl-3-(2-nitro-vinyl)-1H-indole (CAS 176242-83-4) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[(E)-2-nitroethenyl]indole
Also Known As: 1-Benzyl-3-(2-nitro-vinyl)-1H-indole, 1-benzyl-3-[(E)-2-nitrovinyl]indole, 1-benzyl-3-[(E)-2-nitroethenyl]indole, (E)-1-Benzyl-3-(2-nitrovinyl)-1H-indole, 1-benzyl-3-(2-nitroethenyl)-1H-indole
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 3.937 |
| Topological Polar Surface Area | 48.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 804.028 |
Chemical Identifiers
| CAS Number | 176242-83-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C/[N+](=O)[O-] |
Product Overview
1-Benzyl-3-(2-nitro-vinyl)-1H-indole (CAS 176242-83-4), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: 1-benzyl-3-[(E)-2-nitroethenyl]indole.
Chemical Property Profile of 1-Benzyl-3-(2-nitro-vinyl)-1H-indole
Property Insights of 1-Benzyl-3-(2-nitro-vinyl)-1H-indole
The XLogP value of 3.937 indicates that 1-Benzyl-3-(2-nitro-vinyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.07 Ų, 1-Benzyl-3-(2-nitro-vinyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-(2-nitro-vinyl)-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-Benzyl-3-(2-nitro-vinyl)-1H-indole?
The CAS number of 1-Benzyl-3-(2-nitro-vinyl)-1H-indole is 176242-83-4.
What is the molecular formula of 1-Benzyl-3-(2-nitro-vinyl)-1H-indole?
The molecular formula of 1-Benzyl-3-(2-nitro-vinyl)-1H-indole is C17H14N2O2.
What is the molecular weight of 1-Benzyl-3-(2-nitro-vinyl)-1H-indole?
The molecular weight of 1-Benzyl-3-(2-nitro-vinyl)-1H-indole is 278.11 g/mol.
Where can I buy 1-Benzyl-3-(2-nitro-vinyl)-1H-indole?
You can request a quote for 1-Benzyl-3-(2-nitro-vinyl)-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-Benzyl-3-(2-nitro-vinyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(2-nitro-vinyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.