3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one
TL;DR: 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one (CAS 300691-04-7) is a chemical compound with molecular formula C21H16BrN3O and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(benzylamino)-5-bromophenyl]-1H-quinoxalin-2-one
Also Known As: BAS 00139299, 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one, 3-(2-Benzylamino-5-bromo-phenyl)-1H-quinoxalin-2-one, 3-[2-(benzylamino)-5-bromophenyl]-1,2-dihydroquinoxalin-2-one, 3-[2-(benzylamino)-5-bromophenyl]-1H-quinoxalin-2-one
| Molecular Formula | C21H16BrN3O |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | 4.9647 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.04767 |
| Heavy Atoms | 26 |
| Complexity | 1122.8542 |
Chemical Identifiers
| CAS Number | 300691-04-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4NC3=O |
Product Overview
3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one (CAS 300691-04-7), with molecular formula C21H16BrN3O and molecular weight 405.05 g/mol. IUPAC: 3-[2-(benzylamino)-5-bromophenyl]-1H-quinoxalin-2-one.
Chemical Property Profile of 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one
Property Insights of 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one
The XLogP value of 4.9647 indicates that 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.78 Ų, 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-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-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one?
The CAS number of 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one is 300691-04-7.
What is the molecular formula of 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one?
The molecular formula of 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one is C21H16BrN3O.
What is the molecular weight of 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one?
The molecular weight of 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one is 405.05 g/mol.
Where can I buy 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one?
You can request a quote for 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(benzylamino)-5-bromophenyl)quinoxalin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.