![2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline structure](/static/products/4778/477846-87-0.webp)
2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline
TL;DR: 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline (CAS 477846-87-0) is a chemical compound with molecular formula C16H14BrN3O2 and molecular weight 359.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline
Also Known As: Bionet1_003774, 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline, 10P-138, N-(2-bromo-4-nitrophenyl)-N-[2-(1H-indol-3-yl)ethyl]amine
| Molecular Formula | C16H14BrN3O2 |
|---|---|
| Molecular Weight | 359.03 g/mol |
| LogP | 4.4932 |
| Topological Polar Surface Area | 70.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.02695 |
| Heavy Atoms | 22 |
| Complexity | 829.1239 |
Chemical Identifiers
| CAS Number | 477846-87-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])Br |
Product Overview
2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline (CAS 477846-87-0), with molecular formula C16H14BrN3O2 and molecular weight 359.03 g/mol. IUPAC: 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline.
Chemical Property Profile of 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline
Property Insights of 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline
The XLogP value of 4.4932 indicates that 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline. Following Lipinski's Rule of Five, 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline has 2 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 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline?
The CAS number of 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline is 477846-87-0.
What is the molecular formula of 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline?
The molecular formula of 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline is C16H14BrN3O2.
What is the molecular weight of 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline?
The molecular weight of 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline is 359.03 g/mol.
Where can I buy 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline?
You can request a quote for 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.