![2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile structure](/static/products/111/111779-97-6.png)
2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile
TL;DR: 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile (CAS 111779-97-6) is a chemical compound with molecular formula C16H9BrN4 and molecular weight 336.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetonitrile
Also Known As: 2-(2-bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile, 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetonitrile, (9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetonitrile, 2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetonitrile, 2-{9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl}acetonitrile
| Molecular Formula | C16H9BrN4 |
|---|---|
| Molecular Weight | 336.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.00107 |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 111779-97-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)CC#N |
| InChIKey | XMDQXUUDOWYSKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile (CAS 111779-97-6), with molecular formula C16H9BrN4 and molecular weight 336.00 g/mol. IUPAC: 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetonitrile.
Chemical Property Profile of 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile
Property Insights of 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile
The XLogP value of 3.3 indicates that 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile has 0 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-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile?
The CAS number of 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile is 111779-97-6.
What is the molecular formula of 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile?
The molecular formula of 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile is C16H9BrN4.
What is the molecular weight of 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile?
The molecular weight of 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile is 336.00 g/mol.
Where can I buy 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile?
You can request a quote for 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromoindolo[2,3-b]quinoxalin-5-yl)ethanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.