![5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole structure](/static/products/6979/69796-46-9.webp)
5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole
TL;DR: 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole (CAS 69796-46-9) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitroethenyl)-5-phenylmethoxy-1H-indole
Also Known As: 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole, 5-benzyloxy-3-(2-nitro-vinyl)-indole, 5-benzyloxy-3-(2-nitrovinyl)-1H-indole, NCI60_041606, (E)-5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 69796-46-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C=C[N+](=O)[O-] |
| InChIKey | VHFAFPNKRNJZPV-UHFFFAOYSA-N |
Product Overview
5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole (CAS 69796-46-9), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: 3-(2-nitroethenyl)-5-phenylmethoxy-1H-indole.
Chemical Property Profile of 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole
Property Insights of 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole
The XLogP value of 3.8 indicates that 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole. Following Lipinski's Rule of Five, 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole has 1 hydrogen bond donor(s) and 3 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 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole?
The CAS number of 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole is 69796-46-9.
What is the molecular formula of 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole?
The molecular formula of 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole is C17H14N2O3.
What is the molecular weight of 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole?
The molecular weight of 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole is 294.10 g/mol.
Where can I buy 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole?
You can request a quote for 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzyloxy)-3-[(1E)-2-nitroethenyl]-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.