3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone
TL;DR: 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone (CAS 91961-46-5) is a chemical compound with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-6-chloro-2-methyl-1H-quinolin-4-one
Also Known As: 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone, 3-acetyl-6-chloro-2-methyl-1H-quinolin-4-one, 1-(6-Chloro-4-hydroxy-2-methylquinolin-3-yl)ethanone, 1-(6-Chloro-4-hydroxy-2-methyl-3-quinolinyl)ethanone #, 1-(6-Chloro-4-hydroxy-2-methylquinolin-3-yl)ethan-1-one
| Molecular Formula | C12H10ClNO2 |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.04001 |
| Heavy Atoms | 16 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 91961-46-5 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(N1)C=CC(=C2)Cl)C(=O)C |
| InChIKey | PEJKTWBKCGKIIT-UHFFFAOYSA-N |
Product Overview
3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone (CAS 91961-46-5), with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol. IUPAC: 3-acetyl-6-chloro-2-methyl-1H-quinolin-4-one.
Chemical Property Profile of 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone
Property Insights of 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone. With a topological polar surface area (TPSA) of 46.2 Ų, 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone has 1 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 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone?
The CAS number of 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone is 91961-46-5.
What is the molecular formula of 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone?
The molecular formula of 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone is C12H10ClNO2.
What is the molecular weight of 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone?
The molecular weight of 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone is 235.04 g/mol.
Where can I buy 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone?
You can request a quote for 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-6-chloro-2-methyl-4(1H)-quinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.