1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one
TL;DR: 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one (CAS 896830-76-5) is a chemical compound with molecular formula C20H17BrN2O2 and molecular weight 396.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one
Also Known As: 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one, 1-[[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one, 1-[3-(4-Bromo-phenyl)-4,5-dihydro-isoxazol-5-ylmethyl]-4-methyl-1H-quinolin-2-one, 1-{[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4-methylquinolin-2(1H)-one
| Molecular Formula | C20H17BrN2O2 |
|---|---|
| Molecular Weight | 396.05 g/mol |
| LogP | 4.26562 |
| Topological Polar Surface Area | 43.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.04733 |
| Heavy Atoms | 25 |
| Complexity | 1022.0408 |
Chemical Identifiers
| CAS Number | 896830-76-5 |
|---|---|
| SMILES | CC1=CC(=O)N(C2=CC=CC=C12)CC3CC(=NO3)C4=CC=C(C=C4)Br |
Product Overview
1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one (CAS 896830-76-5), with molecular formula C20H17BrN2O2 and molecular weight 396.05 g/mol. IUPAC: 1-[[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one.
Chemical Property Profile of 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one
Property Insights of 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one
The XLogP value of 4.26562 indicates that 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.59 Ų, 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one 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 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one?
The CAS number of 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one is 896830-76-5.
What is the molecular formula of 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one?
The molecular formula of 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one is C20H17BrN2O2.
What is the molecular weight of 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one?
The molecular weight of 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one is 396.05 g/mol.
Where can I buy 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one?
You can request a quote for 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-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 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-4-methylquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.