Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl-
TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl- (CAS 63937-47-3) is a chemical compound with molecular formula C17H25NO and molecular weight 259.1936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-one
Also Known As: AI3-36420, 1,2,3,4-Tetrahydro-2-octanoylisoquinoline, 2-Octanoyl-1,2,3,4-tetrahydroisoquinoline, 1-(3,4-Dihydroisoquinolin-2(1H)-yl)octan-1-one, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-OCTANOYL-
Technical Specifications
| Molecular Formula | C17H25NO |
| Molecular Weight | 259.1936 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.1936 Da |
| Heavy Atoms | 19 |
| Complexity | 276.0 |
| SMILES | CCCCCCCC(=O)N1CCC2=CC=CC=C2C1 |
| InChIKey | UGWLNAQBMGWTIZ-UHFFFAOYSA-N |
Chemical Property Profile of Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl-
Property Insights of Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl-
The XLogP value of 4.2 indicates that Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl- 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
What is the CAS number of Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl-?
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl- is 63937-47-3.
What is the molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl-?
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl- is C17H25NO.
What is the molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl-?
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl- is 259.1936 g/mol.
Where can I buy Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl-?
You can request a quote for Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl-?
Yes, CoreyChem provides custom synthesis services for Isoquinoline, 1,2,3,4-tetrahydro-2-octanoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.