3-Methyl-1-(2-quinolinyl)-2-butanone
TL;DR: 3-Methyl-1-(2-quinolinyl)-2-butanone (CAS 10554-56-0) is a chemical compound with molecular formula C14H15NO and molecular weight 213.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-quinolin-2-ylbutan-2-one
Also Known As: NCIStruc1_000471, NCIStruc2_000616, 2-Butanone,3-methyl-1-(2-quinolinyl)-, 3-methyl-1-(2-quinolinyl)-2-butanone, 3-methyl-1-quinolin-2-ylbutan-2-one
| Molecular Formula | C14H15NO |
|---|---|
| Molecular Weight | 213.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.11537 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 10554-56-0 |
|---|---|
| SMILES | CC(C)C(=O)CC1=NC2=CC=CC=C2C=C1 |
| InChIKey | YNAKYFWJSSKUQL-UHFFFAOYSA-N |
Product Overview
3-Methyl-1-(2-quinolinyl)-2-butanone (CAS 10554-56-0), with molecular formula C14H15NO and molecular weight 213.12 g/mol. IUPAC: 3-methyl-1-quinolin-2-ylbutan-2-one.
Chemical Property Profile of 3-Methyl-1-(2-quinolinyl)-2-butanone
Property Insights of 3-Methyl-1-(2-quinolinyl)-2-butanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-(2-quinolinyl)-2-butanone. With a topological polar surface area (TPSA) of 30.0 Ų, 3-Methyl-1-(2-quinolinyl)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-(2-quinolinyl)-2-butanone has 0 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 3-Methyl-1-(2-quinolinyl)-2-butanone?
The CAS number of 3-Methyl-1-(2-quinolinyl)-2-butanone is 10554-56-0.
What is the molecular formula of 3-Methyl-1-(2-quinolinyl)-2-butanone?
The molecular formula of 3-Methyl-1-(2-quinolinyl)-2-butanone is C14H15NO.
What is the molecular weight of 3-Methyl-1-(2-quinolinyl)-2-butanone?
The molecular weight of 3-Methyl-1-(2-quinolinyl)-2-butanone is 213.12 g/mol.
Where can I buy 3-Methyl-1-(2-quinolinyl)-2-butanone?
You can request a quote for 3-Methyl-1-(2-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 3-Methyl-1-(2-quinolinyl)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-(2-quinolinyl)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.