3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole
TL;DR: 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole (CAS 33723-32-9) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole
Also Known As: 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole, 3-(1-(2,3-Dimethoxyphenyl)-2-nitroethyl)-1H-indole, 3-[1-(2,3-Dimethoxy-phenyl)-2-nitro-ethyl]-1H-indole, Acetamide,N-(2-methoxy-5-nitrophenyl), 1H-Indole,3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 3.5937 |
| Topological Polar Surface Area | 77.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 872.3362 |
Chemical Identifiers
| CAS Number | 33723-32-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32 |
Product Overview
3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole (CAS 33723-32-9), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole.
Chemical Property Profile of 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole
Property Insights of 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole
The XLogP value of 3.5937 indicates that 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole. Following Lipinski's Rule of Five, 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole has 1 hydrogen bond donor(s) and 4 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-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole?
The CAS number of 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole is 33723-32-9.
What is the molecular formula of 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole?
The molecular formula of 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole is C18H18N2O4.
What is the molecular weight of 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole?
The molecular weight of 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole is 326.13 g/mol.
Where can I buy 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole?
You can request a quote for 3-[1-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.