4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one
TL;DR: 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one (CAS 107190-04-5) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-acetyl-1-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Also Known As: BAS 05891489, 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one, AB00084005-01, 4-Acetyl-1-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one, 4-acetyl-1-methyl-2,3,5,6,7,8-hexahydroisoquinolin-3-one
Technical Specifications
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.11028 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.11028 Da |
| Heavy Atoms | 15 |
| Complexity | 402.0 |
| SMILES | CC1=C2CCCCC2=C(C(=O)N1)C(=O)C |
| InChIKey | KIWUCADIJWUJNL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one
Property Insights of 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one. With a topological polar surface area (TPSA) of 46.2 Ų, 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-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
What is the CAS number of 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one?
The CAS number of 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one is 107190-04-5.
What is the molecular formula of 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one?
The molecular formula of 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one is C12H15NO2.
What is the molecular weight of 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one?
The molecular weight of 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one is 205.11028 g/mol.
Where can I buy 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one?
You can request a quote for 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.