4-acetyl-2-methylisoquinolin-1(2H)-one
TL;DR: 4-acetyl-2-methylisoquinolin-1(2H)-one (CAS 33930-77-7) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-2-methylisoquinolin-1-one
Also Known As: 4-acetyl-2-methylisoquinolin-1-one, 4-Acetyl-2-methyl-2H-isoquinolin-1-one, 4-acetyl-2-methylisoquinolin-1(2H)-one, 4-Acetyl-2-methyl-1(2h)-isoquinolinone
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 1.7411 |
| Topological Polar Surface Area | 39.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 596.08386 |
Chemical Identifiers
| CAS Number | 33930-77-7 |
|---|---|
| SMILES | CC(=O)C1=CN(C(=O)C2=CC=CC=C21)C |
Product Overview
4-acetyl-2-methylisoquinolin-1(2H)-one (CAS 33930-77-7), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 4-acetyl-2-methylisoquinolin-1-one.
Chemical Property Profile of 4-acetyl-2-methylisoquinolin-1(2H)-one
Property Insights of 4-acetyl-2-methylisoquinolin-1(2H)-one
The XLogP value of 1.7411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-2-methylisoquinolin-1(2H)-one. With a topological polar surface area (TPSA) of 39.07 Ų, 4-acetyl-2-methylisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-acetyl-2-methylisoquinolin-1(2H)-one 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 4-acetyl-2-methylisoquinolin-1(2H)-one?
The CAS number of 4-acetyl-2-methylisoquinolin-1(2H)-one is 33930-77-7.
What is the molecular formula of 4-acetyl-2-methylisoquinolin-1(2H)-one?
The molecular formula of 4-acetyl-2-methylisoquinolin-1(2H)-one is C12H11NO2.
What is the molecular weight of 4-acetyl-2-methylisoquinolin-1(2H)-one?
The molecular weight of 4-acetyl-2-methylisoquinolin-1(2H)-one is 201.08 g/mol.
Where can I buy 4-acetyl-2-methylisoquinolin-1(2H)-one?
You can request a quote for 4-acetyl-2-methylisoquinolin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetyl-2-methylisoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-2-methylisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.