![3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one structure](/static/products/916/91658-83-2.png)
3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one
TL;DR: 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one (CAS 91658-83-2) is a chemical compound with molecular formula C15H12BrN3O and molecular weight 329.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one
Also Known As: BAS 00667308, 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one, 3-(5-bromo-2-(methylamino)phenyl)quinoxalin-2(1H)-one, 3-(5-Bromo-2-methylamino-phenyl)-1H-quinoxalin-2-one, 3-[5-bromo-2-(methylamino)phenyl]quinoxalin-2(1H)-one
| Molecular Formula | C15H12BrN3O |
|---|---|
| Molecular Weight | 329.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.01636 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 91658-83-2 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)Br)C2=NC3=CC=CC=C3NC2=O |
| InChIKey | XOAOTXDLRFZSJY-UHFFFAOYSA-N |
Product Overview
3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one (CAS 91658-83-2), with molecular formula C15H12BrN3O and molecular weight 329.02 g/mol. IUPAC: 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one.
Chemical Property Profile of 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one
Property Insights of 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one
The XLogP value of 3.0 indicates that 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one 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 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one?
The CAS number of 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one is 91658-83-2.
What is the molecular formula of 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one?
The molecular formula of 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one is C15H12BrN3O.
What is the molecular weight of 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one?
The molecular weight of 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one is 329.02 g/mol.
Where can I buy 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one?
You can request a quote for 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-bromo-2-(methylamino)phenyl]-1H-quinoxalin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.