3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole
TL;DR: 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole (CAS 731826-97-4) is a chemical compound with molecular formula C16H13BrN2O2 and molecular weight 344.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole
Also Known As: 3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole, 1H-Indole, 3-[1-(4-bromophenyl)-2-nitroethyl]-, J2.924.525H, 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole, 3-[alpha-(Nitromethyl)-4-bromobenzyl]-1H-indole
| Molecular Formula | C16H13BrN2O2 |
|---|---|
| Molecular Weight | 344.02 g/mol |
| LogP | 4.339 |
| Topological Polar Surface Area | 58.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.01605 |
| Heavy Atoms | 21 |
| Complexity | 780.3311 |
Chemical Identifiers
| CAS Number | 731826-97-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])C3=CC=C(C=C3)Br |
Product Overview
3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole (CAS 731826-97-4), with molecular formula C16H13BrN2O2 and molecular weight 344.02 g/mol. IUPAC: 3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole.
Chemical Property Profile of 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole
Property Insights of 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole
The XLogP value of 4.339 indicates that 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.93 Ų, 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole has 1 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 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole?
The CAS number of 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole is 731826-97-4.
What is the molecular formula of 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole?
The molecular formula of 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole is C16H13BrN2O2.
What is the molecular weight of 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole?
The molecular weight of 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole is 344.02 g/mol.
Where can I buy 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole?
You can request a quote for 3-(1-(4-Bromophenyl)-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-(4-Bromophenyl)-2-nitroethyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.