4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone
TL;DR: 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone (CAS 27311-83-7) is a chemical compound with molecular formula C14H14BrNO2 and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-methyl-3-(3-oxobutyl)-1H-quinolin-4-one
Also Known As: BAS 00733459, BIM-0028003.P001, AB00093501-01, 4-(6-bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone, 6-bromo-2-methyl-3-(3-oxobutyl)-1H-quinolin-4-one
| Molecular Formula | C14H14BrNO2 |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 3.12062 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.02078 |
| Heavy Atoms | 18 |
| Complexity | 673.2837 |
Chemical Identifiers
| CAS Number | 27311-83-7 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(N1)C=CC(=C2)Br)CCC(=O)C |
Product Overview
4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone (CAS 27311-83-7), with molecular formula C14H14BrNO2 and molecular weight 307.02 g/mol. IUPAC: 6-bromo-2-methyl-3-(3-oxobutyl)-1H-quinolin-4-one.
Chemical Property Profile of 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone
Property Insights of 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone
The XLogP value of 3.12062 indicates that 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.93 Ų, 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone 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 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone?
The CAS number of 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone is 27311-83-7.
What is the molecular formula of 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone?
The molecular formula of 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone is C14H14BrNO2.
What is the molecular weight of 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone?
The molecular weight of 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone is 307.02 g/mol.
Where can I buy 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone?
You can request a quote for 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Bromo-4-hydroxy-2-methyl-3-quinolinyl)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.