4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
TL;DR: 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one (CAS 155748-76-8) is a chemical compound with molecular formula C12H14O and molecular weight 174.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 4,7-Dimethyltetral-1-one, 4,7-Dimethyl-1-tetralone, 4,7-Dimethyltetralin-1-one, 4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one, (S)-11,12,13-Trinor-7-calamenone
Technical Specifications
| Molecular Formula | C12H14O |
| Molecular Weight | 174.10446 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.10446 Da |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
| SMILES | CC1CCC(=O)C2=C1C=CC(=C2)C |
| InChIKey | SQESYXTWWGWCFK-UHFFFAOYSA-N |
Chemical Property Profile of 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
Property Insights of 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-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 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one?
The CAS number of 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one is 155748-76-8.
What is the molecular formula of 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one?
The molecular formula of 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one is C12H14O.
What is the molecular weight of 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one?
The molecular weight of 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one is 174.10446 g/mol.
Where can I buy 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one?
You can request a quote for 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one?
Yes, CoreyChem provides custom synthesis services for 4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.