(E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one
TL;DR: (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one (CAS 120402-44-0) is a chemical compound with molecular formula C15H19NO and molecular weight 229.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1E)-1-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)propan-2-one
Also Known As: (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one, (1E)-1-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)propan-2-one
Technical Specifications
| Molecular Formula | C15H19NO |
| Molecular Weight | 229.14667 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.14667 Da |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
| SMILES | CC(=O)/C=C/1\C2=CC=CC=C2CC(N1C)(C)C |
| InChIKey | RHBJTNWCTQYHEM-NTEUORMPSA-N |
Chemical Property Profile of (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one
Property Insights of (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one. With a topological polar surface area (TPSA) of 20.3 Ų, (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-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
What is the CAS number of (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one?
The CAS number of (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one is 120402-44-0.
What is the molecular formula of (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one?
The molecular formula of (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one is C15H19NO.
What is the molecular weight of (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one?
The molecular weight of (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one is 229.14667 g/mol.
Where can I buy (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one?
You can request a quote for (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one?
Yes, CoreyChem provides custom synthesis services for (E)-1-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.