![3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole structure](/static/products/5610/561012-67-7.webp)
3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole
TL;DR: 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole (CAS 561012-67-7) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole
Also Known As: 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole, 3-[1-(3-Methoxy-phenyl)-2-nitro-ethyl]-1H-indole, J2.940.136E, 1H-Indole,3-[1-(3-methoxyphenyl)-2-nitroethyl]-, 3-[1-(3-methoxyphenyl)-2-nitro-ethyl]-1H-indole
| Molecular Formula | C17H16N2O3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 3.5851 |
| Topological Polar Surface Area | 68.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.1161 |
| Heavy Atoms | 22 |
| Complexity | 810.27905 |
Chemical Identifiers
| CAS Number | 561012-67-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32 |
Product Overview
3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole (CAS 561012-67-7), with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol. IUPAC: 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole.
Chemical Property Profile of 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole
Property Insights of 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole
The XLogP value of 3.5851 indicates that 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole. Following Lipinski's Rule of Five, 3-[1-(3-methoxyphenyl)-2-nitroethyl]-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 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole?
The CAS number of 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole is 561012-67-7.
What is the molecular formula of 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole?
The molecular formula of 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole is C17H16N2O3.
What is the molecular weight of 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole?
The molecular weight of 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole is 296.12 g/mol.
Where can I buy 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole?
You can request a quote for 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.