2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one
TL;DR: 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one (CAS 37420-69-2) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(3-oxobutyl)-1H-quinolin-4-one
Also Known As: pyrithyldione, 4-(4-Hydroxy-2-methylquinolin-3-yl)butan-2-one, 2-methyl-3-(3-oxobutyl)quinolin-4(1h)-one, CBKinase1_000630, CBKinase1_013030
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.35812 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 625.6451 |
Chemical Identifiers
| CAS Number | 37420-69-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2N1)CCC(=O)C |
Product Overview
2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one (CAS 37420-69-2), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: 2-methyl-3-(3-oxobutyl)-1H-quinolin-4-one.
Chemical Property Profile of 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one
Property Insights of 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one
The XLogP value of 2.35812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one. With a topological polar surface area (TPSA) of 49.93 Ų, 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one 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 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one?
The CAS number of 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one is 37420-69-2.
What is the molecular formula of 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one?
The molecular formula of 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one is C14H15NO2.
What is the molecular weight of 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one?
The molecular weight of 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one is 229.11 g/mol.
Where can I buy 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one?
You can request a quote for 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.