1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one
TL;DR: 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one (CAS 104199-18-0) is a chemical compound with molecular formula C14H18O and molecular weight 202.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,4,4-tetramethyl-3H-naphthalen-2-one
Also Known As: 1,1,4,4-tetramethyl-3,4-dihydronaphthalen-2(1h)-one, 1,1,4,4-tetramethyl-3H-naphthalen-2-one, KST-1A9695, 1,1,4,4-tetramethyl-2-tetralone, 1,1,4,4-tetramethyl-3,4-dihydro-2(1H)-naphthalenone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H18O |
| Molecular Weight | 202.13577 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.13577 Da |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
| SMILES | CC1(CC(=O)C(C2=CC=CC=C21)(C)C)C |
| InChIKey | PMQHKFROIUJQAE-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one
Property Insights of 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one
The XLogP value of 3.4 indicates that 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one 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 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one?
The CAS number of 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one is 104199-18-0.
What is the molecular formula of 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one?
The molecular formula of 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one is C14H18O.
What is the molecular weight of 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one?
The molecular weight of 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one is 202.13577 g/mol.
Where can I buy 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one?
You can request a quote for 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one?
Yes, CoreyChem provides custom synthesis services for 1,1,4,4-Tetramethyl-3,4-dihydronaphthalen-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.