1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
TL;DR: 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone (CAS 5855-23-2) is a chemical compound with molecular formula C14H17NO and molecular weight 215.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2,4-trimethylquinolin-1-yl)ethanone
Also Known As: ChemDiv2_004207, 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone, 1-(2,2,4-trimethylquinolin-1-yl)ethanone, IDI1_002922, 1-acetyl-2,2,4-trimethyl-1,2-dihydroquinoline
| Molecular Formula | C14H17NO |
|---|---|
| Molecular Weight | 215.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.13101 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 5855-23-2 |
|---|---|
| SMILES | CC1=CC(N(C2=CC=CC=C12)C(=O)C)(C)C |
| InChIKey | NTEBDFQFERUHKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone (CAS 5855-23-2), with molecular formula C14H17NO and molecular weight 215.13 g/mol. IUPAC: 1-(2,2,4-trimethylquinolin-1-yl)ethanone.
Chemical Property Profile of 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
Property Insights of 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone has 0 hydrogen bond donor(s) and 1 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-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone?
The CAS number of 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone is 5855-23-2.
What is the molecular formula of 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone?
The molecular formula of 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone is C14H17NO.
What is the molecular weight of 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone?
The molecular weight of 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone is 215.13 g/mol.
Where can I buy 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone?
You can request a quote for 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.